• Piri Keşif Aracı

Arama ipuçları nelerdir?
1.  sayfa ve
1
Topological Models for Prediction of Pharmacokinetic Parameters of Cephalosporins using Random Forest, Decision Tree and Moving Average Analysis
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
MDPI
Dergi:
Scientia Pharmaceutica
Yayıncı:
MDPI AG
Yazar(lar) :
Harish Dureja
Yıl :
2008
Harish Dureja
Yayıncı Web Sitesi
 Piri Tam Metin Bulucu
Kaydet Alıntıla
DOI : 10.3797/scipharm.0803-30
ISSN: 0036-8709
Sayı: 3
Cilt: 76
Sayfa: 377-394
Sınıflandırma :
2
Superaugmented Pendentic Indices: Novel Topological Descriptors for QSAR/QSPR
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
MDPI
Dergi:
Scientia Pharmaceutica
Yayıncı:
MDPI AG
Yazar(lar) :
Harish Dureja
Yıl :
2009
Harish Dureja
Yayıncı Web Sitesi
 Piri Tam Metin Bulucu
Kaydet Alıntıla
DOI : 10.3797/scipharm.0903-07
ISSN: 0036-8709
Sayı: 3
Cilt: 77
Sayfa: 521-537
Sınıflandırma :
3
Recent Patents on Polymeric Nanoparticles for Cancer Therapy.
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
PubMed
Dergi:
Recent Pat Nanotechnol
Yazar(lar) :
Parijat Pandey , Harish Dureja
Konu :
Humans, Molecular Targeted Therapy, Nanoparticles, Nanotechnology, Neoplasms, Patents as Topic, Polymers
Yıl :
2018
Harish Dureja
Yayıncı Web Sitesi
 Piri Tam Metin Bulucu
Kaydet Alıntıla
Cancer is a major problem which has claimed so many lives throughout the world. Although a number of resources have been utilized for the development of cancer therapeutics, no effective cure has been found so far.
DOI : 10.2174/1872210512666180327120648
Anahtar Kelimeler : Cancer, drug carriers, drug targeting, nanoformulations, patents, polymeric nanoparticles.
Sınıflandırma :
4
Topochemical Models for the Prediction of 5-HT6 Binding Affinity of 3-ethyl-1H-indoles
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Leonardo Journal of Sciences
Yazar(lar) :
Harish DUREJA , A.K. MADAN
Yıl :
2009
Harish DUREJA
Yayıncı Web Sitesi
Kaydet Alıntıla
Relationship between the topochemical indices and 5-HT6 binding affinity of 3-ethyl-1H-indoles has been investigated. Wiener’s topochemical index - a distance-based topochemical descriptor, eccentric connectivity topochemical index and augmented eccentric connectivity topochemical index - both adjacency-cum-distance based topochemical descriptors were used for the present investigation. A dataset comprising of 26 analogues of 3-ethyl-1H-indoles was selected for the present study. The values of Wiener’s topochemical index, eccentric connectivity topochemical index and augmented eccentric connectivity topochemical index were computed for each of the 26 analogues using an in-house computer program. Resultant data was analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each compound using these models, which was then compared with the reported 5-HT6 binding affinity. Statistical significance of proposed models was investigated using intercorrelation analysis. Accuracy of prediction of proposed models was found to be 81 - 84%.
Anahtar Kelimeler : Topochemical indices, Wieneru2019s topochemical index, Eccentric connectivity topochemical index, Augmented eccentric connectivity topochemical index, 5-HT6 binding affinity, 3-ethyl-1H-indoles
ISSN: 1583-0233
Cilt: 8
Sayı: 14
Sayfa: 124 - 139
Sınıflandırma :
5
PHARMACEUTICAL EXCIPIENTS: GLOBAL REGULATORYISSUES
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Indonesian Journal of Pharmacy
Yazar(lar) :
Harish Dureja , Dinesh Kumar
Yıl :
2013
Harish Dureja
Yayıncı Web Sitesi
 Piri Tam Metin Bulucu
Kaydet Alıntıla
An excipient may be defined as an ingredient that is intentionally added to a drug for purposes other than the therapeutic or diagnostic effect at the intended dosage. Excipients have functional roles in pharmaceutical dosage forms which include the suitable form of consistency, modulating solubility and bioavailability of active ingredients, enhancing stability of the active ingredients in finished dosage form and many others. In most of the developed countries, the excipients are regulated as an active pharmaceutical ingredient. In Europe, it is assumed that novel excipients need to be evaluated as new chemical entities. In United State, the Food and Drug Administration assesses and permits use excipients as part of new drug application. The lack of harmonized international regulatory guidelines leads to the formation of the International Pharmaceutical Excipients Council (IPEC) in 1991. The IPEC was found to calibrate with different countries like Japan, Europe and China to address prevalent industry concerns related to the international harmonization of excipients standards, the introduction of useful new excipients to market place, and development of safety evaluation guidelines for the excipients. In the present study, an attempt has been made to investigate global issues governing regulations of pharmaceutical excipients.
DOI : http://dx.doi.org/10.14499/indonesianjpharm0iss0pp215-221
Anahtar Kelimeler : pharmaceutical excipient, regulatory guidelines
Cilt: 24
Sayı: 4
Sayfa: 215 - 221
Sınıflandırma :
6
Prediction of Antitumor Activity of N-(phenylsulfonyl)benzamides: Computational Approach using Topochemical Descriptors
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Leonardo Journal of Sciences
Yazar(lar) :
Harish DUREJA , Anil K. MADAN
Yıl :
2008
Harish DUREJA
Tam Metin
Kaydet Alıntıla
In the present study, the relationship between the topochemical indices and antitumor activity of N-(phenylsulfonyl)benzamides analogues has been studied. Three topochemical indices, Wiener’s topochemical index - a distance-based topochemical descriptor, molecular connectivity topochemical index - an adjacency-based topochemical descriptor and augmented eccentric connectivity topochemical index - an adjacency-cum-distance based topochemical descriptor, were used for the present investigation. The values of the Wiener’s topochemical index, molecular connectivity topochemical index and augmented eccentric connectivity topochemical index for each of the 62 analogues comprising the data set were computed using an in house computer program. Resultant data was analyzed and suitable models were developed after identification of the active ranges. Subsequently, an activity was assigned to each analogue involved in the dataset using these models, which was then compared with the reported antitumor activity. Statistical significance of proposed models was further investigated using Chi-square test and intercorrelation analysis. Accuracy of prediction using proposed models was found to vary from 80% to ~84%.
Anahtar Kelimeler : Topochemical Indices, Wieneru2019s Topochemical Index, Molecular Connectivity Topochemical Index, Augmented Eccentric Connectivity Topochemical Index, Antitumor Activity, N-(phenylsulfonyl) benzamides.
ISSN: 1583-0233
Cilt: 7
Sayı: 12
Sayfa: 214 - 231
Sınıflandırma :
7
Predicting anti-HIV-1 activity of 6-arylbenzonitriles: Computational approach using superaugmented eccentric connectivity topochemical indices
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Journal of Molecular Graphics and Modelling
Yayıncı:
Elsevier
Yazar(lar) :
Harish Dureja , Sunil Gupta , A.K. Madan
Yıl :
2008
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Highly discriminating adjacency-cum-distance based topochemical indices termed as superaugmented eccentric connectivity topochemical indices for quantitative structure–activity and structure–property relationships (QSAR/QSPR) have been conceptualized in the present study. These indices were found to exhibit high sensitivity towards the presence and relative position of heteroatom(s), exceptionally high discriminating power and negligible degeneracy for all possible structures of five vertices containing one heteroatom. Utility of these indices was investigated for development of models for prediction of anti-human immunodeficiency virus (HIV)-1 activity using a data set comprising 81 differently substituted 6-arylbenzonitriles. The values of the superaugmented eccentric connectivity topochemical indices of all the analogues comprising the data set were computed using an in-house computer program. The resultant data was analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each analogue using these models which was then compared with the reported anti-HIV-1 activity. The accuracy of prediction was found to be ∼81% for all the three topochemical models. High sensitivity towards presence and relative position of heteroatom(s), exceptionally high discriminating power amalgamated with low degeneracy offer proposed topochemical indices vast potential for isomer discrimination, similarity/dissimilarity, drug design, quantitative structure–activity/structure–property relationships, lead optimization and combinatorial library design.
DOI : 10.1016/j.jmgm.2007.08.008
Anahtar Kelimeler : Superaugmented eccentric connectivity topochemical index, Topochemical indices, Anti-HIV-1 activity, 6-Arylbenzonitriles, Structureu2013activity relationship
ISSN: 1093-3263
Sayı: 6
Cilt: 26
Sayfa: 1020-1029
Sınıflandırma :
8
Nanosponges -A Promising Novel Drug Delivery System.
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
PubMed
Dergi:
Recent Pat Nanotechnol
Yazar(lar) :
Parijat Pandey , Deepika Purohit , Harish Dureja
Yıl :
2018
Harish Dureja
Yayıncı Web Sitesi
 Piri Tam Metin Bulucu
Kaydet Alıntıla
Pharmacokinetic issues and poor solubility in water are the most important concern of numerous recently developed chemical entities.
DOI : 10.2174/1872210512666180925102842
Anahtar Kelimeler : Bio-availability, colloidal carrier, controlled release, nanosponges, solubility enhancement, targeted drug delivery system.
Sınıflandırma :
9
Role of chitosan based nanomedicines in the treatment of chronic respiratory diseases
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
International Journal of Biological Macromolecules
Yayıncı:
Elsevier BV
Yazar(lar) :
Nisha Gulati , Kamal Dua , Harish Dureja
Yıl :
2021
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Chitosan-loaded nanomedicines provide a greater opportunity for the treatment of respiratory diseases. Natural biopolymer chitosan and its derivatives have a large number of proven pharmacological actions like antioxidant, wound healing, immuno-stimulant, hypocholesterolemic, antimicrobial, obesity treatment, anti-inflammatory, anticancer, bone tissue engineering, antifungal, regenerative medicine, anti-diabetic and mucosal adjuvant, etc. which attracted its use in the pharmaceutical industry. As compared to other polysaccharides, chitosan has excellent mucoadhesive characteristics, less viscous, easily modified into the chemical and biological molecule and gel-forming property due to which the drugs retain in the respiratory tract for a longer period of time providing enhanced therapeutic action of the drug. Chitosan-based nanomedicines would have the greatest effect when used to transport poor water soluble drugs, macromolecules like proteins, and peptides through the lungs. In this review, we highlight and discuss the role of chitosan and its nanomedicines in the treatment of chronic respiratory diseases such as pneumonia, asthma, COPD, lung cancer, tuberculosis, and COVID-19.
DOI : 10.1016/j.ijbiomac.2021.06.035
Anahtar Kelimeler : BCG Bacillus Calmette-Guerin, Bacillus Calmette-Guerin, BLVR Biological lung volume reduction, Biological lung volume reduction, CF Cystic fibrosis, Cystic fibrosis, COPD Chronic obstructive pulmonary disease, Chronic obstructive pulmonary disease, COVID-19 Corona virus diseases, Corona virus diseases, CRDs Chronic respiratory diseases, Chronic respiratory diseases, DNA Deoxyribonucleic acid, Deoxyribonucleic acid, DPPH 2, 2-diphenyl-1-picrylhydrazyl., 2, 2-diphenyl-1-picrylhydrazyl., GIT Gastrointestinal Tract, Gastrointestinal Tract, GRAS Generally regarded as safe, Generally regarded as safe, IL Interleukin, Interleukin, MERS-CoV Middle East respiratory syndrome - corona virus, Middle East respiratory syndrome - corona virus, RNA Ribonucleic Acid, Ribonucleic Acid, SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2, Severe acute respiratory syndrome coronavirus 2, TB Tuberculosis, Tuberculosis, TEM Transmission Electron Microscopy, Transmission Electron Microscopy, TNF Tumor Necrosis Factor, Tumor Necrosis Factor, WHO World health organization, World health organization, XRD X-ray Diffraction, X-ray Diffraction, Chitosan, Respiratory diseases, Nanomedicines, Drug delivery
ISSN: 0141-8130
Cilt: 185
Sayfa: 20-30
10
Prediction of h5-HT2A receptor antagonistic activity of arylindoles: Computational approach using topochemical descriptors
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Journal of Molecular Graphics and Modelling
Yayıncı:
Elsevier
Yazar(lar) :
Harish Dureja , Anil K. Madan
Yıl :
2006
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Relationship between the topochemical indices and h5-HT2A receptor antagonistic activity of arylindoles has been investigated. Three topochemical indices, Wiener's topochemical index – a distance-based topochemical descriptor, molecular connectivity topochemical index – an adjacency-based topochemical descriptor and eccentric connectivity topochemical index – an adjacency-cum-distance based topochemical descriptor, were used for the present investigation. A data set comprising 31 differently substituted arylindoles was selected for the present study. The values of the Wiener's topochemical index, molecular connectivity topochemical index and eccentric connectivity topochemical index were computed for all the analogues involved in the data set using an in-house computer program. Resultant data was analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each analogue using these models, which was then compared with the reported h5-HT2A receptor antagonistic activity. Accuracy of prediction was found to vary from a minimum of ∼81% to a maximum of ∼84%.
DOI : 10.1016/j.jmgm.2006.02.004
Anahtar Kelimeler : Topochemical indices, Wiener's topochemical index, Molecular connectivity topochemical index, Eccentric connectivity topochemical index, h5-HT2A receptor antagonistic activity, Schizophrenia
ISSN: 1093-3263
Sayı: 3
Cilt: 25
Sayfa: 373-379
Sınıflandırma :
11
Erlotinib loaded chitosan nanoparticles: Formulation, physicochemical characterization and cytotoxic potential
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
International Journal of Biological Macromolecules
Yayıncı:
Elsevier
Yazar(lar) :
Parijat Pandey , Kamal Dua , Harish Dureja
Yıl :
2019
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Cancer is the major cause of mortality and morbidity throughout the world where >10 million patients with new cases diagnosed every year. The objective of this study was to prepare and evaluate erlotinib loaded chitosan nanoparticles for their anticancer potential. Also, to study the effect of various formulation variables on prepared nanoparticles using box-behnken design. Erlotinib loaded chitosan nanoparticles were prepared by ionic gelation method using the spray drying technique. It was found that batch SNP-9 has a maximum loading capacity (74.45 ± 0.34%) and entrapment efficiency (43 ± 0.57%) with a particle size 170.2 nm. Analysis of variance (ANOVA) was applied on the particle size, entrapment efficiency and % cumulative drug release to study the fitting and the significance of the model. The batch SNP-9 showed 89.46% and 40.12% drug release after 24 h in 0.1 N HCl and Phosphate Buffer (pH 6.8), respectively. The IC50 value of SNP-9 evaluated on A549 Lung cancer cells was found to be 4.41 μM. The optimized formulation was found stable after the six-month study as no considerable transformation was detected. The optimized formulation released erlotinib slowly in comparison to the marketed tablet formulation. Erlotinib loaded chitosan nanoparticles were prepared successfully using spray drying technique with suitable particle size, entrapment efficiency, drug release. The synthesized and optimized nanoparticles were found to possess activity against cancer cells when evaluated in-vitro.
DOI : 10.1016/j.ijbiomac.2019.08.084
Anahtar Kelimeler : Erlotinib, Box-behnken design, Spray drying
ISSN: 0141-8130
Cilt: 139
Sayfa: 1304-1316
Sınıflandırma :
12
Predicting Anti-HIV Activity of Dimethylaminopyridin-2-ones: Computational Approach using Topochemical Descriptors
Dergi Makalesi

Dergi Makalesi
Kaynak :
Wiley Online Library
Dergi:
Chemical Biology & Drug Design
Yazar(lar) :
Harish Dureja , Anil Kumar Madan
Konu :
Molecular Medicine, Biochemistry
Yıl :
2009
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
In this study, relationship between the topochemical indices and anti‐HIV activity of dimethylaminopyridin‐2‐ones has been investigated. Three topochemical indices of diverse nature, i.e. Wiener’s topochemical index – a distance‐based topochemical descriptor, molecular connectivity topochemical index – an adjacency based topochemical descriptor and augmented eccentric connectivity topochemical index – an adjacency‐cum‐distance‐based topochemical descriptor, were used for the present investigations. The values of the Wiener’s topochemical index, molecular connectivity topochemical index and augmented eccentric connectivity topochemical index for each of the 103 analogues comprising the data set were computed using an in‐house computer program. Resulting data were analyzed and suitable models were developed after the identification of the active ranges. Subsequently, a biological activity was assigned to each compound using these models, which was then compared with the reported anti‐HIV activity. Statistical significance of proposed models was further investigated using chi‐squared test and intercorrelation analysis. Accuracy of prediction of anti‐HIV activity was found to vary from 81 to 85% using these models.
DOI : 10.1111/j.1747-0285.2008.00766.x
ISSN: 1747-0277
Sayı: 2
Cilt: 73
Sayfa: 258-270
13
Topochemical Models for Prediction of Telomerase Inhibitory Activity of Flavonoids
Dergi Makalesi

Dergi Makalesi
Kaynak :
Wiley Online Library
Dergi:
Chemical Biology & Drug Design
Yazar(lar) :
Harish Dureja , Anil Kumar Madan
Konu :
Molecular Medicine, Biochemistry
Yıl :
2007
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
DOI : 10.1111/j.1747-0285.2007.00526.x
ISSN: 1747-0277
Sayı: 1
Cilt: 70
Sayfa: 47-52
14
Topochemical models for the prediction of poly(ADP-ribose) polymerase inhibitory activity of indole-1-ones
Dergi Makalesi

Dergi Makalesi
Kaynak :
Springer Link
Dergi:
Medicinal Chemistry Research
Yazar(lar) :
Harish Dureja , A. K. Madan
Konu :
Organic Chemistry, General Pharmacology, Toxicology and Pharmaceutics
Yıl :
2007
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
The relationship between the topochemical indices and poly(ADP-ribose) polymerase inhibitory activity of indole-1-ones has been investigated. Wiener’s topochemical index, a distance-based topochemical descriptor; molecular connectivity topochemical index, an adjacency-based topochemical descriptor; and superadjacency topochemical index, an adjacency-cum-distance–based topochemical descriptor, were used for the present investigation. The values of Wiener’s topochemical index, molecular connectivity topochemical index, and superadjacency topochemical index for each of 41 analogs comprising the data set were computed via an in-house computer program. Resulting data were analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each analog involved in the data set using these models, which was then compared with the reported poly(ADP-ribose) polymerase inhibitory activity. Statistical analysis revealed that two of the three models were not intercorrelated. Accuracy of prediction of these models varied from approximately 83% to 85%.
DOI : 10.1007/s00044-007-9006-y
Anahtar Kelimeler : Indole-1-ones, Molecular connectivity topochemical index, Poly(ADP-ribose) polymerase inhibitory activity, Superadjacency Topochemical index, Wieneru2019s topochemical index
ISSN: 1054-2523 1554-8120
Sayı: 1
Cilt: 16
Sayfa: 15-27
15
Superaugmented eccentric connectivity indices: new-generation highly discriminating topological descriptors for QSAR/QSPR modeling
Dergi Makalesi

Dergi Makalesi
Kaynak :
Springer Link
Dergi:
Medicinal Chemistry Research
Yazar(lar) :
Harish Dureja , Anil K. Madan
Konu :
Organic Chemistry, General Pharmacology, Toxicology and Pharmaceutics
Yıl :
2007
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
New-generation highly discriminating topological descriptors, termed superaugmented eccentric connectivity indices (SAξc), have been conceptualized in the present study. The values of SAξc for all the possible structures of three, four, and five vertices were computed using an in-house computer program. The sensitivity to branching, discriminating power, and degeneracy of SAξc were investigated for all the possible structures of three, four, and five vertices and subsequently compared with those of the eccentric and augmented eccentric connectivity indices. The proposed superaugmented eccentric connectivity indices exhibited high sensitivity towards branching, exceptionally high discriminating power, and extremely low degeneracy. The superaugmented eccentric connectivity index-3 (SAξc 3) exhibited an exceptionally high discriminating power of > 4000 for all possible structures containing only five vertices. The statistical significance of the proposed indices was investigated using intercorrelation analysis with Wiener’s index; Balaban’s J index (the average distance sum connectivity); the molecular connectivity index; the eccentric connectivity index; and the augmented eccentric connectivity index values. The high sensitivity to branching and exceptionally high discriminating power amalgamated with extremely low degeneracy give these indices vast potential for isomer discrimination, similarity/dissimilarity, drug design, quantitative structure–activity/structure–property relationships, lead optimization, and combinatorial library design.
DOI : 10.1007/s00044-007-9032-9
Anahtar Kelimeler : Superaugmented eccentric connectivity index, Augmented eccentric connectivity index, Eccentric connectivity index, Wieneru2019s index, Balabanu2019s J index, Molecular connectivity index, Topological descriptors
ISSN: 1054-2523 1554-8120
Sayı: 7-9
Cilt: 16
Sayfa: 331-341
16
Sorafenib for hepatocellular carcinoma: potential molecular targets and resistance mechanisms
Dergi Makalesi

Dergi Makalesi
Kaynak :
Taylor and Francis
Dergi:
Journal of Chemotherapy
Yayıncı:
Informa UK Limited
Yazar(lar) :
Mandeep Dahiya , Harish Dureja
Yıl :
2021
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Hepatocellular carcinoma (HCC) is the most widespread typical therapy-resistant, unresectable type of malignant solid tumour with a high death rate constituting huge medical concern. Sorafenib is a small molecule oral multi-target kinase potent inhibitor that acts by suppressing/blocking the multiplication of the tumour cells, angiogenesis, and encouraging apoptosis of the tumour cells. Though, the precise mechanism of tumour cell death induction by sorafenib is yet under exploration. Furthermore, genetic heterogeneity plays a critical role in developing sorafenib resistance, which leads the way to identify the need for predictive biomarkers responsible for drug resistance. Therefore, it is essential to find out the fundamental resistance mechanisms to expand therapeutic plans. The authors summarize the molecular concepts of resistance, progression, potential molecular targets, HCC management therapies, and discussion on the advancements expected in the coming future, inclusive of biomarker-driven treatment strategies, which may provide the prospects to design innovative therapeutically targeted strategies for the HCC treatment and the clinical implementation of emerging targeted agents.
DOI : 10.1080/1120009x.2021.1955202
Anahtar Kelimeler : HCC, sorafenib, gene mutations, resistance, combination therapy, therapeutic targets
ISSN: 1120-009X
Sayfa: 1-16
17
Topochemical models for prediction of cyclin-dependent kinase 2 inhibitory activity of indole-2-ones
Dergi Makalesi

Dergi Makalesi
Kaynak :
Springer Link
Dergi:
Journal of Molecular Modeling
Yazar(lar) :
Harish Dureja , Anil Kumar Madan
Konu :
Computational Theory and Mathematics, Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Computer Science Applications, Catalysis
Yıl :
2005
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
The relationship between the topochemical indices and cyclin-dependent kinase 2 (CDK2) inhibitory activity of indole-2-ones has been investigated. The relationship of topochemical versions of well known topological indices of Wiener’s index—a distance-based topological descriptor, molecular connectivity index, an adjacency-based topological descriptor and eccentric connectivity index—an adjacency-cum-distance based topological descriptor with CDK2 inhibitory activity of indole-2-ones has been investigated. A data set comprising 67 analogues of substituted indole-2-ones was selected for the present investigation. The values of the Wiener’s topochemical index, molecular connectivity topochemical index and eccentric connectivity topochemical index for each of 67 analogues comprising the data set were computed. The resulting data was analyzed and suitable models developed after identification of the active ranges. Subsequently, a biological activity was assigned to each analogue in the data set using these models, which was then compared with the reported CDK2 inhibitory activity. Accuracy of prediction was found to vary from a minimum of 88% for a model based upon molecular connectivity topochemical index to a maximum of ~90% for model based upon eccentric connectivity topochemical index.
DOI : 10.1007/s00894-005-0276-3
Anahtar Kelimeler : Topochemical indices, Wieneru2019s topochemical index, Molecular connectivity topochemical index, Atomic molecular connectivity index, Eccentric connectivity topochemical index, CDK2 inhibitory activity, Indole-2-ones
ISSN: 1610-2940 0948-5023
Sayı: 6
Cilt: 11
Sayfa: 525-531
18
Targeting matrix metalloproteinases with novel diazepine substituted cinnamic acid derivatives: design, synthesis, in vitro and in silico studies.
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
PubMed
Dergi:
Chem Cent J
Yazar(lar) :
Dharmender Rathee , Viney Lather , Ajmer Singh Grewal , Harish Dureja
Yıl :
2018
Harish Dureja
Piri Tam Metin Bulucu
Kaydet Alıntıla
Lung cancer is the notable cause of cancer associated deaths worldwide. Recent studies revealed that the expression of matrix metalloproteinases (MMPs) is extremely high in lung tumors compared with non-malignant lung tissue. MMPs (-2 and -9) play an important part in tumor development and angiogenesis, which suggests that creating potent MMP-2 and -9 inhibitors, should be an important goal in lung cancer therapy. In the present study, an effort has been made to develop new anti-metastatic and anti-invasive agents, wherein a series of novel diazepine substituted cinnamic acid derivatives were designed, synthesized and assayed for their inhibitory activities on MMP-2 and MMP-9. These derivatives were prepared via microwave assisted reaction of tert-butyl (3-cinnamamidopropyl)carbamate derivatives mixed with 2,3-dibromopropanoic acid and potassium carbonate was added to obtain 4-(tert-butoxycarbonyl)-1-cinnamoyl-1,4-diazepane-2-carboxylic acid derivatives. The newly synthesized compounds were characterized by IR, NMR and mass spectroscopy. All the tested compounds showed good to excellent cytotoxic potential against A549 human lung cancer cells. The active compounds displaying good activity were further examined for the inhibitory activity against MMPs (-2 and -9). In addition, the structure and anticancer activity relationship were further supported by in silico docking studies of the active compounds against MMP-2 and MMP-9.
DOI : 10.1186/s13065-018-0411-8
Anahtar Kelimeler : Cinnamic acid, Diazepine, MMP-2, MMP-9, Molecular docking, Targeting
Sınıflandırma :
19
Enzymatic inhibitory activity of iridoid glycosides from Picrorrhiza kurroa against matrix metalloproteinases: Correlating in vitro targeted screening and docking.
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
PubMed
Dergi:
Comput Biol Chem
Yazar(lar) :
Dharmender Rathee , Viney Lather , Ajmer Singh Grewal , Harish Dureja
Yıl :
2018
Harish Dureja
Piri Tam Metin Bulucu
Kaydet Alıntıla
One specific group of MMPs; gelatinases A (MMP-2) and B (MMP-9) are of precise interest in view of the development and progression of cancer. In the current work, an attempt was made to investigate the enzymatic inhibitory activity of Kutkin (KT), Kutkoside (KS), and Picroside I (PS) by inhibition assay and to further check the downregulation of the expression of mRNA levels of MMP-2 and -9. Further in silico docking studies were performed to investigate the interaction of KT, KS and PS with MMP-2 and MMP-9. The results revealed a dose dependent cytotoxic activity of the compounds under investigation and showed a significant inhibition of MMP-9 in comparison to the activity against MMP-2. In addition, a considerable decrease in expression of mRNA levels (MMP-9) was observed in KT, KS, and PS-treated MDA-MB-231 and MDA-MB-435 cancer cells as was detected by reverse transcriptase polymerase chain reaction (semi-quantitative RT-PCR). The molecular docking studies between KT, KS, PS with MMPs revealed that KT, KS, PS occupied the active site of MMP-9 and showed better binding interactions in comparison to MMP-2. The binding energies of the complexes were -7.4, -7.1 and -7.2 kJ/mol for KT, KS and PS with MMP-9, respectively and -8.9, -8.0 and -8.0 kJ/mol for KT, KS and PS with MMP-2, respectively. The findings from the in vitro studies revealed that KT, KS and PS exhibited significant anti-proliferative effects on both MDA-MB-231 and MDA-MB-435 breast cancer cells. In addition, the results of inhibition assay showed that MMP-9 activity was significantly inhibited by KT, KS and PS and the results were consistent with in silico assay.
DOI : 10.1016/j.compbiolchem.2018.10.017
Anahtar Kelimeler : Inhibition, Kutkin, Kutkoside, MMPs u20142 (72 kDa), u20149 (92 kDa), Molecular docking, Picroside I, RT-PCR
Sınıflandırma :
20
Recent Patents, Formulation Techniques, Classification and Characterization of Liposomes.
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
PubMed
Dergi:
Recent Pat Nanotechnol
Yazar(lar) :
Reena Sheoran , Sukhbir Lal Khokra , Viney Chawla , Harish Dureja
Yıl :
2018
Harish Dureja
Yayıncı Web Sitesi
 Piri Tam Metin Bulucu
Kaydet Alıntıla
During past decades' liposomes have emerged as efficient carriers for drugs, diagnostics, vaccines, nutrients and other bioactive agents. Liposomes, the spherical vesicles consisting of phospholipids bilayer have the ability to encapsulate both lipophilic and hydrophilic drugs. Extensive studies have been done in the past for investigating a number of drugs and genes for controlled release with liposomal formulation. Liposomes have also been investigated for their use in cancer treatment. Liposomes offer various advantages because of their biocompatible, biodegradable, nontoxic and non-immunogenic nature.
DOI : 10.2174/1872210513666181127110413
Anahtar Kelimeler : Liposomes, biocompatible., characterization, encapsulation, formulation, phospholipids
Sınıflandırma :
21
Optimization of ionic liquid-based microwave assisted extraction of a diterpenoid lactone-andrographolide from Andrographis paniculata by response surface methodology
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Journal of Molecular Liquids
Yayıncı:
Elsevier
Yazar(lar) :
Meenu Bhan , Saurabh Satija , Chanchal Garg , Harish Dureja , Munish Garg
Yıl :
2017
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
An ionic liquid-based microwave assisted extraction (IL-MAE) method was developed for a diterpenoid lactone-andrographolide from Andrographis paniculata by response surface methodology using ionic liquid, 1-butyl-3-methyl-imidazolium chloride ([bmim]Cl). Variable microwave-assisted extraction parameters were selected as concentration of [bmim]Cl, extraction time and microwave power while solid-liquid ratio and extraction temperature were kept constant. Response surface methodology was employed to develop the predictive model for optimization and simulation of the extraction process. A multivariate quadratic regression equation was obtained by central composite design. The 3 D response surface curve and contour plots were obtained by variance of analysis (ANOVA). High performance thin layer chromatography (HPTLC) was performed for quantitative analysis of andrographolide and for comparison of IL-MAE extraction with conventional methods. The optimum extraction conditions were 2.84 mol/L, microwave power 600 W, extraction time 6 min, extraction temperature 70 °C, solid-liquid ratio 1:10. With this novel IL-MAE method, the yield of andrographolide was increased from 1.5% w/w in 7 days (maceration) and 1.8% w/w in 3 h (soxhlation) to 4.71% w/w in 6 min (IL-MAE). At the same time there was reduction in the environmental pollution by using the green solvents/ionic liquids (ILs).
DOI : 10.1016/j.molliq.2016.12.011
Anahtar Kelimeler : bmimCl, Andrographis paniculata, Andrographolide, Microwave assisted extraction, Response surface methodology
ISSN: 0167-7322
Cilt: 229
Sayfa: 161-166
Sınıflandırma :
Kimya %100
Kromatografi %92
22
Superaugmented Eccentric Distance Sum Connectivity Indices: Novel Highly Discriminating Topological Descriptors for QSAR/QSPR
Dergi Makalesi

Dergi Makalesi
Kaynak :
Wiley Online Library
Dergi:
Chemical Biology & Drug Design
Yazar(lar) :
Monika Gupta , Sunil Gupta , Harish Dureja , Anil Kumar Madan
Yıl :
2011
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Four highly discriminating fourth‐generation topological indices (TIs), termed as superaugmented eccentric distance sum connectivity indices, as well as their topochemical versions (denoted by , , and ), have been conceptualized in this study. The values of these indices for all possible structures with three, four, and five vertices containing one heteroatom were computed using an in‐house computer program. The proposed superaugmented eccentric distance sum connectivity topochemical indices exhibited exceptionally high discriminating power, low degeneracy, and high sensitivity toward both the presence and the relative position of heteroatom(s) for all possible structures with five vertices containing at least one heteroatom. Intercorrelation analysis revealed the absence of correlation of proposed indices with Zagreb indices and the molecular connectivity index. Subsequently, the proposed TIs were successfully utilized for the development of models for the prediction of checkpoint kinase inhibitory activity of 2‐arylbenzimidazoles. A data set comprising 47 differently substituted analogs of 2‐arylbenzimidazoles was selected for the study. The values of various TIs for each analog in the data set were computed using an in‐house computer program. The resulting data were analyzed, and suitable models were developed through decision tree (DT), random forest (RF), and moving average analysis (MAA). The performance of the models was assessed by calculating the specificity, sensitivity, overall accuracy, and Mathew’s correlation coefficient. A decision tree was constructed for the checkpoint kinase inhibitory activity to determine the importance of topological indices. The decision tree identified the proposed TIs –, – as the most important indices. The decision tree learned the information from the input data with an accuracy of 96% and correctly predicted the cross‐validated (10‐fold) data with an accuracy of 77%. Random forest correctly predicted the checkpoint kinase inhibitory activity with an accuracy of 83%. The single index‐based models were also developed for the prediction of checkpoint kinase inhibitory activity using MAA. The accuracy of prediction of single index‐based models derived through MAA was found to vary from a minimum of 90% to a maximum of 95%. Exceptionally high discriminating power, low degeneracy, and high sensitivity toward branching and presence of heteroatom of proposed indices can be of immense use in drug design, isomer discrimination, similarity/dissimilarity studies, quantitative structure activity/property relationships, lead optimization, and combinatorial library design.
DOI : 10.1111/j.1747-0285.2011.01264.x
ISSN: 1747-0277
Sayı: 1
Cilt: 79
Sayfa: 38-52
23
Inhaled nano-based therapeutics for inflammatory lung diseases: Recent advances and future prospects
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Life Sciences
Yayıncı:
Elsevier BV
Yazar(lar) :
Nisha Gulati , Dinesh Kumar Chellappan , Ronan MacLoughlin , Kamal Dua , Harish Dureja
Yıl :
2021
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
Inflammatory lung diseases related morbidity and mortality impose a significant financial burden. Inflammation is a hallmark of many diseases of the respiratory system which is directly or indirectly linked to adverse health conditions, air pollution, rapid lifestyle changes, and regular outbreaks of microbial infections. The unique anatomical and physiological features of the lungs make them an ideal target organ in the treatment of inflammatory respiratory disease and with the help of inhaled therapy lungs can be targeted directly. The principal objective of this review is to present the comprehensive role of inhaled nano-based therapeutics such as liposomes, niosomes, nanoparticles, nanoemulsion, nanosuspension, and exosomes in the treatment and management of inflammatory respiratory diseases. Inhaled nanomedicines provide targeted diagnosis and treatment, improved drug solubility and distribution, prevent first-pass hepatic metabolism, improved patient compliance, and reduced drug side effects. They overcome several biological barriers in the human body and provide immediate, and quick-onset of action. Future research should be focused on improving the therapeutic efficiency of inhaled nanocarriers and to carry out in-depth mechanistic studies to translate current scientific knowledge for the efficient management of inflammatory lung diseases with minimal or no toxicity.
DOI : 10.1016/j.lfs.2021.119969
Anahtar Kelimeler : Inhalation, Nanomedicines, Inflammation, Lung disorder
ISSN: 0024-3205
Cilt: 285
Sayfa: 119969
24
Development of mathematical models for prediction of biopharmaceutical biological and physicochemical properties of molecules
Tez

Tez
Kaynak :
Indian Theses
Dergi:
Department of Pharmaceutical Science
Yayıncı:
Department of Pharmaceutical Science
Yazar(lar) :
Harish Dureja
Konu :
Biological , Biopharmaceutical , Molecules , Physicochemical , Prediction
Yıl :
2007
Harish Dureja
Yayıncı Web Sitesi
Kaydet Alıntıla
Abstract not available
Anahtar Kelimeler : Biological, Biopharmaceutical, Molecules, Physicochemical, Prediction
Sayfa: 0-xvii, 353.
Sınıflandırma :
25
Models for anti-inflammatory activity of 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles
Dergi Makalesi

Dergi Makalesi
Kaynak :
Springer Link
Dergi:
Medicinal Chemistry Research
Yazar(lar) :
Rakesh K. Goyal , Harish Dureja , G. Singh , A. K. Madan
Konu :
Organic Chemistry, General Pharmacology, Toxicology and Pharmaceutics
Yıl :
2011
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
An in silico approach through decision tree (DT) and moving average analysis (MAA) has been employed for development of models for prediction of anti-inflammatory activity. A data set consisting of 44 analogues of 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles was selected for this study. These compounds act as anti-inflammatory agents through inhibition of tumor progression loci-2 (Tpl2) kinase and tumor necrosis factor-α (TNF-α) production. A total of 44 descriptors of diverse nature, from a large pool of molecular descriptors calculated through E-Dragon software (version 1.0) and an in-house computer program were selected for further analysis. DT was used to determine the importance of molecular descriptors. DT identified two topological indices as most important and classified the analogues involved in the data set with an accuracy of ~91% in training set and ~66% in 10 fold cross validated set. Three independent models were also developed through MAA. Accuracy of prediction of these models varied from 87.5 to 92.5%. The statistical significance of proposed models was assessed through intercorrelation analysis, sensitivity, specificity, and Matthew’s correlation coefficient. The proposed models offer a vast potential for providing lead structures for development of potent anti-inflammatory drugs.
DOI : 10.1007/s00044-011-9613-5
Anahtar Kelimeler : Anti-inflammatory activity, Wiener-type index from Z weighted distance matrix, Gutman molecular topological index, Eccentric distance sum topochemical index, 8-Substituted-4-anilino-6-aminoquinoline-3-carbonitriles
ISSN: 1054-2523 1554-8120
Sayı: 7
Cilt: 21
Sayfa: 1044-1055
26
Central composite designed formulation, characterization and in vitro cytotoxic effect of erlotinib loaded chitosan nanoparticulate system
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
International Journal of Biological Macromolecules
Yayıncı:
Elsevier
Yazar(lar) :
Parijat Pandey , Dinesh Kumar Chellappan , Murtaza M. Tambuwala , Hamid A. Bakshi , Kamal Dua , Harish Dureja
Yıl :
2019
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
The most common cause of deaths due to cancers nowadays is lung cancer. The objective of this study was to prepare erlotinib loaded chitosan nanoparticles for their anticancer potential. To study the effect of formulation variables on prepared nanoparticles using central composite design. Erlotinib loaded chitosan nanoparticles were prepared by ionic gelation method using probe sonication technique. It was found that batch NP-7 has a maximum loading capacity and entrapment efficiency with a particle size (138.5 nm) which is ideal for targeting solid tumors. Analysis of variance was applied to the particle size, entrapment efficiency and percent cumulative drug release to study the fitting and the significance of the model. The batch NP-7 showed 91.57% and 39.78% drug release after 24 h in 0.1 N hydrochloric acid and Phosphate Buffer (PB) pH 6.8, respectively. The IC50 value of NP-7 evaluated on A549 Lung cancer cells was found to be 6.36 μM. The XRD of NP-7 displayed the existence of erlotinib in the amorphous pattern. The optimized batch released erlotinib slowly in comparison to the marketed tablet formulation. Erlotinib loaded chitosan nanoparticles were prepared successfully using sonication technique with suitable particle size, entrapment efficiency and drug release. The formulated nanoparticles can be utilized for the treatment of lung cancer.
DOI : 10.1016/j.ijbiomac.2019.09.023
Anahtar Kelimeler : Erlotinib, Ionic gelation, Probe sonication
ISSN: 0141-8130
Cilt: 141
Sayfa: 596-610
Sınıflandırma :
27
Emerging cases of mucormycosis under COVID ‐19 pandemic in India: Misuse of antibiotics
Dergi Makalesi

Dergi Makalesi
Kaynak :
Wiley Online Library
Dergi:
Drug Development Research
Yazar(lar) :
Gaurav Gupta , Roshan S. , Yogendra Singh , Lakshmi Thangavelu , Sachin Kumar Singh , Harish Dureja , Dinesh Kumar Chellappan , Kamal Dua
Yıl :
2021
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
COVID‐19's second wave had a significant impact on India, on May 7, 2021, the largest daily recorded case count was a little more than 4 million, and it has since fallen. Although the number of new cases reported has dropped, during the third week of May 2021, India accounted for about 45% of new cases identified globally and around 34% of deaths. As India maintains its present level of stability, a new urgent threat has emerged in the form of coronavirus‐associated mucormycosis. Mucormycosis, an acute and deadly fungal infection caused by Mucorales‐related fungal species, is a fungal emergency with a particularly aggressive propensity for contiguous spread, associated with a poor prognosis if not properly and immediately identified, and treated. Mucormycosis, sometimes referred to as the “black fungus,” has increased more rapidly in India during the second wave of COVID‐19 than during the first wave, with at least 14,872 cases as of May 28, 2021. Uncontrolled diabetic mellitus (DM) and other immunosuppressive diseases such as neutropenia and corticosteroid treatment have traditionally been identified as risk factors for mucormycosis. Therefore, the use of glucocorticoids or high doses of glucocorticoids in mild COVID‐19 cases (without hypoxemia) should be avoided. In addition, drugs that target the immune pathway, such as tocilizumab, are not recommended without clear benefits.
DOI : 10.1002/ddr.21862
ISSN: 0272-4391
28
Solid lipid nanoparticles containing anti-tubercular drugs attenuate the Mycobacterium marinum infection
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Tuberculosis
Yayıncı:
Elsevier
Yazar(lar) :
Sunil Khatak , Meenu Mehta , Rajendra Awasthi , Keshav Raj Paudel , Sachin Kumar Singh , Monica Gulati , Nicole G. Hansbro , Philip M. Hansbro , Kamal Dua , Harish Dureja
Yıl :
2020
Harish Dureja
Yayıncı Web Sitesi
Tam Metin
Kaydet Alıntıla
The present study aimed to formulate anti-tubercular drugs (Rifampicin, Isoniazid and Pyrazinamide) loaded solid lipid nanoparticles (ATDs-SLNs) using microemulsion technique for oral administration. Central composite designed (CCD) was applied to study the effect of stearic acid (X1), Compritol® 888 ATO (X2) and equal ratio of poloxamer 188: sodium taurocholate (% w/w) (X3) on particle size, zeta potential and entrapment efficiency. The optimised formulation (SLN8) was found to be spherical in shape with mean particle size 187.9 ± 10.73 nm and zeta potential −47.4 mV. The maximum percentage entrapment of RIF, INH and PYZ in the optimised formulation was found to be 86.40 ± 0.274, 83.84 ± 0.269 and 81.43 ± 0.576, respectively. The in-vitro drug release study demonstrated that the release of drug from SLNs was slow in comparison to marketed formulation and pure ATDs. Cytotoxicity of the ATDs-SLNs was studied on murine macrophage cell line (RAW 264.7) using modified MTT assay demonstrated two folds growth inhibition of M. marinum as compared to standard antitubercular drugs. Overall, the developed SLNs may be considered as a promising anti-mycobacterial nano-drug, providing a new direction to the tuberculosis clinics.
DOI : 10.1016/j.tube.2020.102008
Anahtar Kelimeler : Solid lipid nanoparticles, Tuberculosis, Rifampicin, Isoniazid, Pyrazinamide, Antitubercular drugs
ISSN: 1472-9792
Cilt: 125
Sayfa: 102008
Sınıflandırma :

Yayın Yılı

Sınırla

Doküman Türü
Tümü

Veri Tabanı
Tümü

Dergi İsmi
Tümü

Disiplin
Tümü

Disipline Göre İlgililik

Alt Disiplin
Tümü

Konu
Tümü

Yayıncı
Tümü

Lisan
Tümü

X
Filtreler