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Antimicrobial Photodynamic Therapy in the Control of COVID-19
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Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Antibiotics
Yazar(lar) :
Adelaide Almeida , M. Amparo F. Faustino , Maria G. P. M. S. Neves
Yıl :
2020
Antimicrobial Photodynamic Therapy in the Control of COVID-19 ., protoporphyrin-IX (PP-IX), might help to mitigate the COVID- 19 either to prevent infections or to develop photoactive fabrics (e.g., masks, suits, gloves COVID-19
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Antimicrobial photodynamic therapy (aPDT), using well known, safe and cost-effective photosensitizers, such as phenothiazines, e.g., methylene blue (MB), or porphyrins, e.g., protoporphyrin-IX (PP-IX), might help to mitigate the COVID-19 either to prevent infections or to develop photoactive fabrics (e.g., masks, suits, gloves) to disinfect surfaces, air and wastewater, under artificial light and/or natural sunlight.
DOI : 10.3390/antibiotics9060320
Anahtar Kelimeler : antimicrobial photodynamic therapy, coronaviruses, SARS-CoV-2, COVID-19, control, disinfection
ISSN: 2079-6382
Cilt: 9
Sayı: 320
Sayfa: 320
Sınıflandırma :
2
Didemnins Inhibit COVID-19 Main Protease (Mpro)
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Kaynak :
DSpace Makaleler
Yazar(lar) :
SELMİHAN ŞAHİN , Furkan Calapoğlu , İSMAİL ÖZMEN
Yıl :
2021
Didemnins Inhibit COVID-19 Main Protease (Mpro)
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Kimya %100
Tıbbi Kimya %85
3
Can Bioactive Lipids Inactivate Coronavirus (COVID-19)?
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Archives of Medical Research
Yayıncı:
Elsevier
Yazar(lar) :
Undurti N. Das
Yıl :
2020
Can Bioactive Lipids Inactivate Coronavirus (COVID-19)?
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SARS-CoV-2, SARS and MERS are all enveloped viruses that can cause acute respiratory syndrome. Arachidonic acid (AA) and other unsaturated fatty acids (especially eicosapentaenoic acd, EPA and docosahexaenoic acid DHA) are known to inactivate enveloped viruses and inhibit proliferation of various microbial organisms. The pro-inflammatory metabolites of AA and EPA such as prostaglandins, leukotrienes and thromboxanes induce inflammation whereas lipoxins, resolvins, protectins and maresins derived from AA, EPA and DHA not only suppress inflammation but also enhance would healing and augment phagocytosis of macrophages and other immunocytes and decrease microbial load. In view of these actions, it is suggested that AA and other unsaturated fatty acids and their metabolites may serve as endogenous anti-viral compounds and their deficiency may render humans susceptible to SARS-CoV-2, SARS and MERS and other similar viruses’ infections. Hence, oral or intravenous administration of AA and other unsaturated fatty acids may aid in enhancing resistance and recovery from SARS-CoV-2, SARS and MERS infections.
DOI : 10.1016/j.arcmed.2020.03.004
Anahtar Kelimeler : SARS-CoV-2, SARS, MERS, Polyunsaturated fatty acids, Arachidonic acid, Prostaglandins, Lipoxin A4, Resolvins, Protectins and maresins, Inflammation
ISSN: 0188-4409
Sayı: 3
Cilt: 51
Sayfa: 282-286
Sınıflandırma :
4
The role of electrospun nanofibers in the fight against the COVID-19
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Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
eXPRESS Polymer Letters
Yazar(lar) :
K. Molnar , L. Meszaros
Yıl :
2020
The role of electrospun nanofibers in the fight against the COVID-19
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DOI : 10.3144/expresspolymlett.2020.49
Anahtar Kelimeler : nanomaterials, coronavirus, nanofiber, electrospinning
ISSN: 1788-618X
Cilt: 14
Sayı: 7
Sayfa: 605 - 605
Sınıflandırma :
5
Zinc(II)—The Overlooked Éminence Grise of Chloroquine’s Fight against COVID-19?
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Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Pharmaceuticals
Yazar(lar) :
Aleksandra Hecel , Małgorzata Ostrowska , Kamila Stokowa-Sołtys , Joanna Wątły , Dorota Dudek , Adriana Miller , Sławomir Potocki , Agnieszka Matera-Witkiewicz , Alicia Dominguez-Martin , Henryk Kozłowski , Magdalena Rowińska-Żyrek
Yıl :
2020
Zinc(II)—The Overlooked Éminence Grise of Chloroquine’s Fight against COVID-19? We show results of the first clinical trials on chloroquine (CQ) and hydroxychloroquine (HCQ) in the treatment of COVID- 19, as well as earlier reports Other FDA-approved Zn(II) ionophores are given a decent amount of attention and are thought of as possible COVID- 19 therapeutics. COVID-19
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Zn(II) is an inhibitor of SARS-CoV-2′s RNA-dependent RNA polymerase, and chloroquine and hydroxychloroquine are Zn(II) ionophores–this statement gives a curious mind a lot to think about. We show results of the first clinical trials on chloroquine (CQ) and hydroxychloroquine (HCQ) in the treatment of COVID-19, as well as earlier reports on the anticoronaviral properties of these two compounds and of Zn(II) itself. Other FDA-approved Zn(II) ionophores are given a decent amount of attention and are thought of as possible COVID-19 therapeutics.
DOI : 10.3390/ph13090228
Anahtar Kelimeler : COVID-19, SARS-CoV-2, 2019-nCoV, Zn(II) ionophores, chloroquine, hydroxy- chloroquine
ISSN: 1424-8247
Cilt: 13
Sayı: 228
Sayfa: 228
Sınıflandırma :
6
Chloroquine and hydroxychloroquine as available weapons to fight COVID-19
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
International Journal of Antimicrobial Agents
Yayıncı:
Elsevier
Yazar(lar) :
Philippe Colson , Jean-Marc Rolain , Jean-Christophe Lagier , Philippe Brouqui , Didier Raoult
Yıl :
2020
Chloroquine and hydroxychloroquine as available weapons to fight COVID-19
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DOI : 10.1016/j.ijantimicag.2020.105932
ISSN: 0924-8579
Sayı: 4
Cilt: 55
Sayfa: 105932
Sınıflandırma :
7
Can graphene take part in the fight against COVID-19?
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Nano Today
Yayıncı:
Elsevier
Yazar(lar) :
V. Palmieri , M. Papi
Yıl :
2020
Can graphene take part in the fight against COVID-19? The pneumonia outbreak of coronavirus disease 2019 ( COVID- 19) represents a global issue. - 19. Thanks to its high versatility, we foresee that graphene may have a leading role in the fight against COVID- 19.
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The pneumonia outbreak of coronavirus disease 2019 (COVID-19) represents a global issue. The bidimensional material graphene has captured much attention due to promising antimicrobial applications and has also demonstrated antiviral efficacy. In response to this global outbreak, we summarized the current state of knowledge of graphene and virus interaction as well as possible successful applications to fight COVID-19. Antibody-conjugated graphene sheets can rapidly detect targeted virus proteins and can be useful for large population screening, but also for the development of environmental sensors and filters, given the low cost of graphene materials. Functionalized graphene has demonstrated a good viral capture capacity that, combined with heat or light-mediated inactivation, could be used as a disinfectant. Graphene sensors arrays can be implemented on standard utility textiles and drug efficacy screening. Thanks to its high versatility, we foresee that graphene may have a leading role in the fight against COVID-19.
DOI : 10.1016/j.nantod.2020.100883
ISSN: 1748-0132
Cilt: 33
Sayfa: 100883
Sınıflandırma :
8
Sauna bathing frequency in Finland and the impact of COVID-19
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Complementary Therapies in Medicine
Yayıncı:
Elsevier
Yazar(lar) :
Lassi A. Liikkanen , Jari A. Laukkanen
Yıl :
2020
Sauna bathing frequency in Finland and the impact of COVID-19 However, coronavirus disease 2019 ( COVID- 19) pandemic introduced regulations and unprecedented closures to shared sauna facilities. The COVID- 19 pandemic demonstrated that the frequency of bathing is dependent on good access to sauna facilities. COVID-19
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Recent research has revealed multiple potential health benefits of frequent sauna bathing. Finland is a country with extraordinary sauna culture and bathing opportunities. However, coronavirus disease 2019 (COVID-19) pandemic introduced regulations and unprecedented closures to shared sauna facilities. In this study we aimed to examine the previously unknown baseline bathing frequency and its possible change during the epidemic. Design We investigated several aspects of sauna bathing with self-reports: the frequency, its possible changes, reasons for change, and beliefs about its health effects among a representative sample of thousand Finns aged 18–75 years. This online survey was administered in May 2020. Results Before the pandemic, 59 % of our respondents had enjoyed sauna at least once a week. Since the pandemic began, up to 23 % had reduced or stopped their bathing. This was often due to restricted sauna access. However, 11 % of respondents bathed more frequently and attributed this change to seeking relaxation and passing time. These findings demonstrate a surprising flexibility in this health-promoting national pastime. Men were more active bathers than women overall and women under 35 enjoy sauna more seldom than older women. Only 7.9 % of all respondents bathed at least four times a week, exceeding a suggested threshold for maximum health benefits. Conclusions Finnish people are active sauna bathers. The COVID-19 pandemic demonstrated that the frequency of bathing is dependent on good access to sauna facilities. This flexibility and wide access could be exploited to improve public health in the long term if more frequent bathing became a standard.
DOI : 10.1016/j.ctim.2020.102594
Anahtar Kelimeler : Finnish sauna, Sauna bathing, Health benefits, COVID-19
ISSN: 0965-2299
Sayfa: 102594
Sınıflandırma :
9
Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
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Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
International Journal of Molecular Sciences
Yazar(lar) :
Mohamed Hagar , Hoda A. Ahmed , Ghadah Aljohani , Omaima A. Alhaddad
Yıl :
2020
Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations The novel coronavirus, COVID- 19, caused by SARS-CoV-2, is a global health pandemic that started in December 2019. drugs named Favipiravir (1), Amodiaquine (2), 2′-Fluoro-2′-deoxycytidine (3), and Ribavirin (4) was evaluated as inhibitors and nucleotide analogues for COVID - 19 using computational modeling strategies. COVID 19
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The novel coronavirus, COVID-19, caused by SARS-CoV-2, is a global health pandemic that started in December 2019. The effective drug target among coronaviruses is the main protease Mpro, because of its essential role in processing the polyproteins that are translated from the viral RNA. In this study, the bioactivity of some selected heterocyclic drugs named Favipiravir (1), Amodiaquine (2), 2′-Fluoro-2′-deoxycytidine (3), and Ribavirin (4) was evaluated as inhibitors and nucleotide analogues for COVID-19 using computational modeling strategies. The density functional theory (DFT) calculations were performed to estimate the thermal parameters, dipole moment, polarizability, and molecular electrostatic potential of the present drugs; additionally, Mulliken atomic charges of the drugs as well as the chemical reactivity descriptors were investigated. The nominated drugs were docked on SARS-CoV-2 main protease (PDB: 6LU7) to evaluate the binding affinity of these drugs. Besides, the computations data of DFT the docking simulation studies was predicted that the Amodiaquine (2) has the least binding energy (−7.77 Kcal/mol) and might serve as a good inhibitor to SARS-CoV-2 comparable with the approved medicines, hydroxychloroquine, and remdesivir which have binding affinity −6.06 and −4.96 Kcal/mol, respectively. The high binding affinity of 2 was attributed to the presence of three hydrogen bonds along with different hydrophobic interactions between the drug and the critical amino acids residues of the receptor. Finally, the estimated molecular electrostatic potential results by DFT were used to illustrate the molecular docking findings. The DFT calculations showed that drug 2 has the highest of lying HOMO, electrophilicity index, basicity, and dipole moment. All these parameters could share with different extent to significantly affect the binding affinity of these drugs with the active protein sites.
DOI : 10.3390/ijms21113922
Anahtar Kelimeler : COVID 19, N-heterocycles, molecular docking, DFT calculations, hydroxychloroquine
Cilt: 21
Sayı: 3922
Sayfa: 3922
Sınıflandırma :
10
Amantadine as a drug to mitigate the effects of COVID-19
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Kaynak :
Science Direct
Dergi:
Medical Hypotheses
Yayıncı:
Elsevier
Yazar(lar) :
Gonzalo Emiliano Aranda Abreu , María Elena Hernández Aguilar , Deissy Herrera Covarrubias , Fausto Rojas Durán
Yıl :
2020
Amantadine as a drug to mitigate the effects of COVID-19 COVID-19
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The SARS-CoV-2 virus has spread around the world. At this time, there is no vaccine that can help people prevent the spread of coronavirus. We are proposing amantadine as a drug that can be used to mitigate the effects of the virus. It is demonstrated by docking models how amantadine can exert its action on Coronavirus viroporin E.
DOI : 10.1016/j.mehy.2020.109755
Anahtar Kelimeler : COVID-19, Amantadine, Viroporin, Docking
ISSN: 0306-9877
Cilt: 140
Sayfa: 109755
Sınıflandırma :
11
Extracorporeal cytokine adsorption as an alternative to pharmacological inhibition of IL-6 in COVID-19
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Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Critical Care
Yazar(lar) :
Alexander Supady , Daniel Duerschmied , Christoph Bode , Marina Rieder , Achim Lother
Yıl :
2020
Extracorporeal cytokine adsorption as an alternative to pharmacological inhibition of IL-6 in COVID-19
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DOI : 10.1186/s13054-020-03238-1
Cilt: 24
Sayı: 1
Sayfa: 1 - 2
Sınıflandırma :
12
Chiral switches of chloroquine and hydroxychloroquine: potential drugs to treat COVID-19
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Drug Discovery Today
Yayıncı:
Elsevier
Yazar(lar) :
Ilaria Du2019Acquarica , Israel Agranat
Yıl :
2020
Chiral switches of chloroquine and hydroxychloroquine: potential drugs to treat COVID-19
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DOI : 10.1016/j.drudis.2020.04.021
ISSN: 1359-6446
Sayı: 7
Cilt: 25
Sayfa: 1121-1123
Sınıflandırma :
13
Designing of improved drugs for COVID-19: Crystal structure of SARS-CoV-2 main protease Mpro
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Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Signal Transduction and Targeted Therapy
Yazar(lar) :
Hylemariam Mihiretie Mengist , Xiaojiao Fan , Tengchuan Jin
Yıl :
2020
Designing of improved drugs for COVID-19: Crystal structure of SARS-CoV-2 main protease Mpro
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DOI : 10.1038/s41392-020-0178-y
ISSN: 2059-3635
Cilt: 5
Sayı: 1
Sayfa: 1 - 2
Sınıflandırma :
14
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach
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Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Memórias do Instituto Oswaldo Cruz.
Yazar(lar) :
Ísis Venturi Biembengut , Tatiana de Arruda Campos Brasil de Souza
Coagulation modifiers targeting SARS-CoV-2 main protease Mpro for COVID-19 treatment: an in silico approach This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease- 19 ( COVID- 19). Our results evidenced the potential use of coagulation modifiers in COVID- 19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation covid-19
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Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection depends on viral polyprotein processing, catalysed by the main proteinase (Mpro). The solution of the SARS-CoV-2 Mpro structure allowed the investigation of potential inhibitors. This work aims to provide first evidences of the applicability of commercially approved drugs to treat coronavirus disease-19 (COVID-19). We screened 4,334 compounds to found potential inhibitors of SARS-CoV-2 replication using an in silico approach. Our results evidenced the potential use of coagulation modifiers in COVID-19 treatment due to the structural similarity of SARS-CoV-2 Mpro and human coagulation factors thrombin and Factor Xa. Further in vitro and in vivo analysis are needed to corroborate these results.
DOI : 10.1590/0074-02760200179
Anahtar Kelimeler : structure, ligand binding, in silico approach, covid-19, sars-cov-2
Cilt: 115
Sınıflandırma :
15
Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Life Sciences
Yayıncı:
Elsevier
Yazar(lar) :
Mahmoud Kandeel , Mohammed Al-Nazawi
Yıl :
2020
Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease Aims In December 2019, the Coronavirus disease-2019 ( COVID- 19) virus has emerged in Wuhan, China. Key findings COVID- 19 Mpro formed a phylogenetic group with SARS CoV that was distant from MERS CoV. The identity% was 96.061 and 51.61 for COVID- 19/SARS and COVID- 19/MERS CoV sequence comparisons, respectively. COVID-19 Coronavirus disease 2019 COVID-19
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Aims In December 2019, the Coronavirus disease-2019 (COVID-19) virus has emerged in Wuhan, China. In this research, the first resolved COVID-19 crystal structure (main protease) was targeted in a virtual screening study by of FDA approved drugs dataset. In addition, a knowledge gap in relations of COVID-19 with the previously known fatal Coronaviruses (CoVs) epidemics, SARS and MERS CoVs, was covered by investigation of sequence statistics and phylogenetics. Materials and methods Molecular modeling, virtual screening, docking, sequence comparison statistics and phylogenetics of the COVID-19 main protease were investigated. Key findings COVID-19 Mpro formed a phylogenetic group with SARS CoV that was distant from MERS CoV. The identity% was 96.061 and 51.61 for COVID-19/SARS and COVID-19/MERS CoV sequence comparisons, respectively. The top 20 drugs in the virtual screening studies comprised a broad-spectrum antiviral (ribavirin), anti-hepatitis B virus (telbivudine), two vitamins (vitamin B12 and nicotinamide) and other miscellaneous systemically acting drugs. Of special interest, ribavirin had been used in treating cases of SARS CoV. Significance The present study provided a comprehensive targeting of the first resolved COVID+19 structure of Mpro and found a suitable save drugs for repurposing against the viral Mpro. Ribavirin, telbivudine, vitamin B12 and nicotinamide can be combined and used for COVID treatment. This initiative relocates already marketed and approved safe drugs for potential use in COVID-treatment.
DOI : 10.1016/j.lfs.2020.117627
Anahtar Kelimeler : COVID-19 Coronavirus disease 2019, Coronavirus disease 2019, 2019-nCoV 2019 New Coronavirus, 2019 New Coronavirus, MERS CoV Middle East Respiratory Syndrome Coronavirus, Middle East Respiratory Syndrome Coronavirus, ORF open reading frames, open reading frames, S spike protein, spike protein, E envelope, envelope, M membrane protein, membrane protein, N nucleocapsid, nucleocapsid, 3CLpro 3-C-like protease, 3-C-like protease, SARS Severe Acute Respiratory Syndrome CoV, Severe Acute Respiratory Syndrome CoV, COVID-19, 2019-nCoV, 2019-Novel Coronavirus, Wuhan Coronavirus, Main protease, Molecular modeling
ISSN: 0024-3205
Cilt: 251
Sayfa: 117627
Sınıflandırma :
Kimya %24
Tıbbi Kimya %100
16
Fenoterol and dobutamine as COVID-19 main protease inhibitors: A virtual screening study
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Dergi Makalesi
Kaynak :
DSpace Makaleler
Dergi:
Journal of Molecular Structure
Yayıncı:
Elsevier B.V.
Yazar(lar) :
Bolelli K. , Ertan-Bolelli T. , Unsalan O. , Altunayar-Unsalan C.
Konu :
COVID-19, Dobutamine, Drug discovery, Fenoterol, Molecular docking, Virtual screening
Yıl :
2020
Fenoterol and dobutamine as COVID-19 main protease inhibitors: A virtual screening study Global health is under heavy threat by a worldwide pandemic caused by a new type of coronavirus ( COVID- 19) since its rapid spread in China in 2019 [1]. Currently, there are no approved specific drugs and effective treatment for COVID- 19 infection, but several available drugs are known to facilitate tentative Our efforts in this work directly address current urgency of a new drug discovery against COVID- 19. © 2020 Elsevier B.V. COVID-19,Dobutamine,Drug discovery,Fenoterol,Molecular docking,Virtual screening COVID-19
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Global health is under heavy threat by a worldwide pandemic caused by a new type of coronavirus (COVID-19) since its rapid spread in China in 2019 [1]. Currently, there are no approved specific drugs and effective treatment for COVID-19 infection, but several available drugs are known to facilitate tentative treatment. Since drug design, development and testing procedures are time-consuming [2–5], virtual screening studies with the aid of available drug databases take the initiative at this point and save the time. Besides, drug repurposing strategies promises to identify new agents for the novel diseases in a time-critical fashion. In this study, we used structure based virtual screening method on FDA approved drugs and compounds in clinical trials. As a result of this study we choose three most prominent compounds for further studies. Here we show that these three compounds (dobutamine and its two derivatives) can be considered as promising inhibitors for COVID-19 main protease and results also demonstrate the possible interactions of dobutamine and its derivatives with COVID main protease (6W63) [6]. Our efforts in this work directly address current urgency of a new drug discovery against COVID-19. © 2020 Elsevier B.V.
Anahtar Kelimeler : COVID-19, Dobutamine, Drug discovery, Fenoterol, Molecular docking, Virtual screening, article

ISSN: 0022-2860
Sınıflandırma :
Biyotıp %91
17
Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Microbial Pathogenesis
Yayıncı:
Elsevier
Yazar(lar) :
Emanuelle Machado Marinho , João Batista de Andrade Neto , Jacilene Silva , Cecília Rocha da Silva , Bruno Coelho Cavalcanti , Emmanuel Silva Marinho , Hélio Vitoriano Nobre Júnior
Yıl :
2020
Virtual screening based on molecular docking of possible inhibitors of Covid-19 main protease Coronavirus ( COVID- 19) is an enveloped RNA virus that is diversely found in humans and that has now been declared a global pandemic by the World Health In this context, this study aimed to evaluate in silico the molecular interactions of drugs with therapeutic indications for treatment of COVID- 19 (Azithromycin COVID-19
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Coronavirus (COVID-19) is an enveloped RNA virus that is diversely found in humans and that has now been declared a global pandemic by the World Health Organization. Thus, there is an urgent need to develop effective therapies and vaccines against this disease. In this context, this study aimed to evaluate in silico the molecular interactions of drugs with therapeutic indications for treatment of COVID-19 (Azithromycin, Baricitinib and Hydroxychloroquine) and drugs with similar structures (Chloroquine, Quinacrine and Ruxolitinib) in docking models from the SARS-CoV-2 main protease (M-pro) protein. The results showed that all inhibitors bound to the same enzyme site, more specifically in domain III of the SARS-CoV-2 main protease. Therefore, this study allows proposing the use of baricitinib and quinacrine, in combination with azithromycin; however, these computer simulations are just an initial step for conceiving new projects for the development of antiviral molecules.
DOI : 10.1016/j.micpath.2020.104365
Anahtar Kelimeler : Molecular docking, COVID-19, Inhibitors
ISSN: 0882-4010
Cilt: 148
Sayfa: 104365
Sınıflandırma :
18
Biophotonics for pandemic control: Large-area infection monitoring and microbial inactivation of COVID-19
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Photodiagnosis and Photodynamic Therapy
Yayıncı:
Elsevier
Yazar(lar) :
Marcelo Saito Nogueira
Yıl :
2020
Biophotonics for pandemic control: Large-area infection monitoring and microbial inactivation of COVID-19
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DOI : 10.1016/j.pdpdt.2020.101823
ISSN: 1572-1000
Cilt: 31
Sayfa: 101823
Sınıflandırma :
19
Oleoylethanolamide, A Bioactive Lipid Amide, as A Promising Treatment Strategy for Coronavirus/COVID-19
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Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Archives of Medical Research
Yayıncı:
Elsevier
Yazar(lar) :
Samad Ghaffari , Neda Roshanravan , Helda Tutunchi , Alireza Ostadrahimi , Mahboub Pouraghaei , Behnam Kafil
Yıl :
2020
Oleoylethanolamide, A Bioactive Lipid Amide, as A Promising Treatment Strategy for Coronavirus/COVID-19 The current outbreak of COVID- 19 (coronavirus) has been identified by World Health Organization (WHO) as a global pandemic. With the emergence of the COVID- 19 virus and considering the lack of effective pharmaceutical treatment for it, there is an urgent need to identify safe - 19. COVID-19
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The current outbreak of COVID-19 (coronavirus) has been identified by World Health Organization (WHO) as a global pandemic. With the emergence of the COVID-19 virus and considering the lack of effective pharmaceutical treatment for it, there is an urgent need to identify safe and effective drugs or potential adjuvant therapy in this regard. Bioactive lipids with an array of known health-promoting properties can be suggested as effective agents in alleviating acute respiratory stress induced by virus. The bioactive lipid amide, oleoylethanolamide (OEA), due to several distinctive homeostatic properties, including anti-inflammatory activities, modulation of immune response, and anti-oxidant effects can be considered as a novel potential pharmacological alternative for the management of COVID-19.
DOI : 10.1016/j.arcmed.2020.04.006
Anahtar Kelimeler : Bioactive lipids, Coronavirus, COVID-19, OEA, Oleoylethanolamide
ISSN: 0188-4409
Sayı: 5
Cilt: 51
Sayfa: 464-467
Sınıflandırma :
20
Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15
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Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Informatics in Medicine Unlocked
Yazar(lar) :
D. Anantha Krishnan , G. Sangeetha , S. Vajravijayan , N. Nandhagopal , K. Gunasekaran
Yıl :
2020
Structure-based drug designing towards the identification of potential anti-viral for COVID-19 by targeting endoribonuclease NSP15 The world is facing health and economic havoc due to the Corona Virus Disease-2019 ( COVID- 19) pandemic. COVID-19
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The world is facing health and economic havoc due to the Corona Virus Disease-2019 (COVID-19) pandemic. Given the number of affected people and the mortality rate, the virus is undoubtedly a serious threat to humanity. By analogy with earlier reports about Severe Acute Respiratory Syndrome (SARS-CoV) and Middle East Respiratory Syndrome (MERS-CoV) - viruses, the novel Coronavirus’ replication mechanism is likely well understood. The structure of an endoribonuclease (NSP15) of SARS-CoV-2 was reported recently. This enzyme is expected to play a crucial role in replication. In this work, attempts were made to identify inhibitors of this enzyme. To achieve the goal, high throughput in silico screening and molecular docking procedures were performed. From an Enamine database of a billion compounds, 3978 compounds with potential antiviral activity were selected for screening and induced fit docking that funneled down to eight compounds with good docking score and docking energy. Detailed analysis of non-covalent interactions at the active site and the apparent match of the molecule with the shape of the binding pocket were assessed. All the compounds show significant interactions for tight binding. Since all the compounds are synthetic with favorable drug-like properties, these may be considered for immediate optimization and downstream applications.
Anahtar Kelimeler : Endoribonuclease, Coronavirus, COVID-19, NSP15 inhibitors
ISSN: 2352-9148
Cilt: 20
Sayfa: 100392
Sınıflandırma :
Viroloji %95
21
Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics
Dergi Makalesi

Dergi Makalesi
Open Access
Kaynak :
Directory of Open Access Journals (DOAJ)
Dergi:
Arabian Journal of Chemistry
Yazar(lar) :
Mubarak A. Alamri , Ali Altharawi , Alhumaidi B. Alabbas , Manal A. Alossaimi , Safar M. Alqahtani
Yıl :
2020
Structure-based virtual screening and molecular dynamics of phytochemicals derived from Saudi medicinal plants to identify potential COVID-19 therapeutics Coronavirus disease 2019 ( COVID- 19) has affected almost every country in the world by causing a global pandemic with a high mortality rate. - 19 drug candidates. These potential drug candidates will be subjected to further in vitro and in vivo studies and may assist the development of effective anti- COVID- 19 drugs COVID-19
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Coronavirus disease 2019 (COVID-19) has affected almost every country in the world by causing a global pandemic with a high mortality rate. Lack of an effective vaccine and/or antiviral drugs against SARS-CoV-2, the causative agent, has severely hampered the response to this novel coronavirus. Natural products have long been used in traditional medicines to treat various diseases, and purified phytochemicals from medicinal plants provide a valuable scaffold for the discovery of new drug leads. In the present study, we performed a computational screening of an in-house database composed of ~1000 phytochemicals derived from traditional Saudi medicinal plants with recognised antiviral activity. Structure-based virtual screening was carried out against three druggable SARS-CoV-2 targets, viral RNA-dependent RNA polymerase (RdRp), 3-chymotrypsin-like cysteine protease (3CLpro) and papain like protease (PLpro) to identify putative inhibitors that could facilitate the development of potential anti-COVID-19 drug candidates. Computational analyses identified three compounds inhibiting each target, with binding affinity scores ranging from −9.9 to −6.5 kcal/mol. Among these, luteolin 7-rutinoside, chrysophanol 8-(6-galloylglucoside) and kaempferol 7-(6″-galloylglucoside) bound efficiently to RdRp, while chrysophanol 8-(6-galloylglucoside), 3,4,5-tri-O-galloylquinic acid and mulberrofuran G interacted strongly with 3CLpro, and withanolide A, isocodonocarpine and calonysterone bound tightly to PLpro. These potential drug candidates will be subjected to further in vitro and in vivo studies and may assist the development of effective anti-COVID-19 drugs.
Anahtar Kelimeler : Antiviral, COVID-19, MD simulation, SARS-CoV-2, Virtual screening, Protease
ISSN: 1878-5352
Cilt: 13
Sayı: 9
Sayfa: 7224 - 7234
Sınıflandırma :
Kimya %51
Tıbbi Kimya %100
Viroloji %96
22
Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Chemical Physics Letters
Yayıncı:
Elsevier
Yazar(lar) :
Samaneh Bagheri Novir , Mohammad Reza Aram
Yıl :
2020
Quantum mechanical simulation of Chloroquine drug interaction with C60 fullerene for treatment of COVID-19 Chloroquine (CQ) has been reported as an effective drug in the control of COVID- 19 infection. COVID-19
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Chloroquine (CQ) has been reported as an effective drug in the control of COVID-19 infection. Since C60 fullerene has been considered as a drug delivery system, the interaction between pristine fullerene and chloroquine drug and also the interaction between B, Al, Si doped fullerene and chloroquine drug have been investigated based on the density functional theory calculations. The results of this study show that the doped fullerene, especially Al and Si doped fullerene could be the better drug delivery vehicles for chloroquine drug because of their relatively better energetic and electronic properties with chloroquine.
DOI : 10.1016/j.cplett.2020.137869
Anahtar Kelimeler : Chloroquine, COVID-19, DFT, Drug delivery, Fullerene
ISSN: 0009-2614
Cilt: 757
Sayfa: 137869
Sınıflandırma :
23
Synthesis, Spectroscopic Characterizations of Novel Norcantharimides, Their ADME Properties and Docking Studies Against COVID-19 Mpr°
Dergi Makalesi

Dergi Makalesi
Kaynak :
DSpace Makaleler
Dergi:
ChemistrySelect
Yayıncı:
Gazi Üniversitesi
Yazar(lar) :
H. and Adem Özkan
Yıl :
2020
Synthesis, Spectroscopic Characterizations of Novel Norcantharimides, Their ADME Properties and Docking Studies Against COVID-19 Mpr°
Piri Tam Metin Bulucu
Kaydet Alıntıla
DOI : 10.1002/slct.202001123
Cilt: 5
Sayı: 18
Sayfa: 5422-5428-0
Sınıflandırma :
24
Exploration of inhibitory action of Azo imidazole derivatives against COVID-19 main protease (Mpro): A computational study
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Journal of Molecular Structure
Yayıncı:
Elsevier
Yazar(lar) :
Abhijit Chhetri , Sailesh Chettri , Pranesh Rai , Biswajit Sinha , Dhiraj Brahman
Yıl :
2021
Exploration of inhibitory action of Azo imidazole derivatives against COVID-19 main protease (Mpro): A computational study docking studies were carried out to ascertain the inhibitory action of studied ligands (L1-L4) against the Main Protease (6LU7) of novel coronavisrus ( COVID - 19).
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Four novel ionic liquid tagged azo-azomethine derivatives (L1-L4) have been prepared by the condensation reaction of azo-coupled ortho-vaniline precursor with amino functionalised imidazole derivative and the synthesized derivatives (L1-L4) have been characterized by different analytical and spectroscopic techniques. Molecular docking studies were carried out to ascertain the inhibitory action of studied ligands (L1-L4) against the Main Protease (6LU7) of novel coronavisrus (COVID-19). The result of the docking of L1-L4 showed a significant inhibitory action against the Main protease (Mpro) of SARS-CoV-2 and the binding energy (ΔG) values of the ligands (L1-L4) against the protein 6LU7 have found to be −7.7 Kcal/mole (L1), −7.0 Kcal/mole (L2), −7.9 Kcal/mole (L3), and −7.9 Kcal/mole (L4).The efficiency of the ligands has been compared with the FDA approved and clinically trial drugs such as remdesivir, Chloroquin and Hydroxychloroquin and native ligand N3 of main protease 6LU7 to ascertain the inhibitory potential of the studied ligands (L1-L4) against the protein 6LU7. Pharmacokinetic properties (ADME) of the ligands (L1-L4) have also been studied.
DOI : 10.1016/j.molstruc.2020.129178
Anahtar Kelimeler : Azo imidazole, Molecular docking, Binding energy, SARS-CoV-2 Mpro, Pharmacokinetics, Remdesivir, Chloroquin, Hydroxychloroquin
ISSN: 0022-2860
Cilt: 1224
Sayfa: 129178
Sınıflandırma :
Kimya %100
Tıbbi Kimya %26
25
Aminoglycosides can be a better choice over macrolides in COVID-19 regimen: Plausible mechanism for repurposing strategy
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Medical Hypotheses
Yayıncı:
Elsevier
Yazar(lar) :
Nehru Sai Suresh Chalichem , Bharathi Bethapudi , Deepak Mundkinajeddu
Yıl :
2020
Aminoglycosides can be a better choice over macrolides in COVID-19 regimen: Plausible mechanism for repurposing strategy In the current COVID- 19 pandemic, prioritizing the immunity enhancers is equally important to anti-virals. Consideration of aminoglycosides can be a double edge sword viz., against respiratory infection as well as Immunity enhancer (along with anti-virals) for COVID - 19 regimen. COVID-19
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In the current COVID-19 pandemic, prioritizing the immunity enhancers is equally important to anti-virals. Defensins are the forgotten molecules that enhance the innate immunity against various microbes. Although macrolides like azithromycin and clarithromycin etc., have been reported to act against respiratory infections but they lack the ability of immunity enhancement through defensins. The aminoglycosides were proved to have defensin mediated antiviral activity, that could enhance the immunity. So, Consideration of aminoglycosides can be a double edge sword viz., against respiratory infection as well as Immunity enhancer (along with anti-virals) for COVID-19 regimen.
DOI : 10.1016/j.mehy.2020.109984
Anahtar Kelimeler : COVID-19, Repurposing strategy, Innate immunity, Defensins, Andrographis
ISSN: 0306-9877
Cilt: 144
Sayfa: 109984
Sınıflandırma :
26
Global multi-omics and systems pharmacological strategy unravel the multi-targeted therapeutic potential of natural bioactive molecules against COVID-19
Dergi Makalesi

Dergi Makalesi
Kaynak :
Science Direct
Dergi:
Genomics
Yayıncı:
Elsevier
Yazar(lar) :
Pandiyan Muthuramalingam , Rajendran Jeyasri , Alaguvel Valliammai , Anthonymuthu Selvaraj , Chandrasekar Karthika , Shanmugaraj Gowrishankar , Shunmugiah Karutha Pandian , Manikandan Ramesh , Jen-Tsung Chen
Yıl :
2020
Global multi-omics and systems pharmacological strategy unravel the multi-targeted therapeutic potential of natural bioactive molecules against COVID-19 Understanding the immunological behavior of COVID- 19 cases at molecular level is essential for therapeutic development. Immuno-transcriptomic dataset of healthy controls and COVID- 19 cases was retrieved from ArrayExpress. Differentially expressed 98 immune genes associated with COVID- 19 were derived through NetworkAnalyst 3.0. COVID-19
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Understanding the immunological behavior of COVID-19 cases at molecular level is essential for therapeutic development. In this study, multi-omics and systems pharmacology analyses were performed to unravel the multi-targeted mechanisms of novel bioactives to combat COVID-19. Immuno-transcriptomic dataset of healthy controls and COVID-19 cases was retrieved from ArrayExpress. Phytocompounds from ethnobotanical plants were collected from PubChem. Differentially expressed 98 immune genes associated with COVID-19 were derived through NetworkAnalyst 3.0. Among 259 plant derived compounds, 154 compounds were targeting 13 COVID-19 immune genes involved in diverse signaling pathways. In addition, pharmacological properties of these phytocompounds were compared with COVID-19 drugs prescribed by WHO, and 25 novel phytocompounds were found to be more efficient with higher bioactive scores. The current study unravels the virogenomic signatures which can serve as therapeutic targets and identified phytocompounds with anti-COVID-19 efficacy. However, further experimental validation is essential to bring out these molecules as commercial drug candidates.
DOI : 10.1016/j.ygeno.2020.08.003
Anahtar Kelimeler : COVID-19, Cheminformatics, Immuno-transcriptomics, Immune genes, Interactomics, Phytocompounds, Systems pharmacology
ISSN: 0888-7543
Sayı: 6
Cilt: 112
Sayfa: 4486-4504
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