| Ident. | Authors (with country if any) | Title |
|---|
| 000174 (2021) |
Abdo A. Elfiky [Égypte] | SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective. |
| 000203 (2021) |
F O Shode [Afrique du Sud] ; A S K. Idowu [Afrique du Sud] ; O J Uhomoibhi [Afrique du Sud] ; S. Sabiu [Afrique du Sud] | Repurposing drugs and identification of inhibitors of integral proteins (spike protein and main protease) of SARS-CoV-2. |
| 000259 (2021) |
Chavan Sakshi [Inde] ; A. Harikrishnan [Inde] ; Selvakumar Jayaraman [États-Unis] ; Ahana Roy Choudhury [Inde] ; V. Veena [Inde] | Predictive medicinal metabolites from Momordica dioica against comorbidity related proteins of SARS-CoV-2 infections. |
| 000263 (2021) |
Fouzia Mesli [Algérie] ; Meriem Ghalem [Algérie] ; Ismail Daoud [Algérie] ; Said Ghalem [Algérie] | Potential inhibitors of angiotensin converting enzyme 2 receptor of COVID-19 by Corchorus olitorius Linn using docking, molecular dynamics, conceptual DFT investigation and pharmacophore mapping. |
| 000271 (2021) |
Ahmed A. Ishola [Nigeria] ; Kayode E. Adewole [Nigeria] ; Habibu Tijjani [Nigeria] ; Suliat I. Abdulai [Nigeria] ; Nnaemeka T. Asogwa [Nigeria] | Phylogenic analysis of coronavirus genome and molecular studies on potential anti-COVID-19 agents from selected FDA-approved drugs. |
| 000480 (2021) |
Anamika Gupta [Inde] ; Rumana Ahmad [Inde] ; Sahabjada Siddiqui [Inde] ; Kusum Yadav [Inde] ; Aditi Srivastava [Inde] ; Anchal Trivedi [Inde] ; Bilal Ahmad [Inde] ; Mohsin Ali Khan [Inde] ; Amit Kumar Shrivastava [Népal] ; Girish Kumar Singh [Inde] | Flavonol morin targets host ACE2, IMP-α, PARP-1 and viral proteins of SARS-CoV-2, SARS-CoV and MERS-CoV critical for infection and survival: a computational analysis. |
| 000736 (2021) |
Sukanth Kumar Enmozhi [Inde] ; Kavitha Raja [Inde] ; Irudhayasamy Sebastine [Inde] ; Jerrine Joseph [Inde] | Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach. |
| 000794 (2021) |
Pawan Kumar Doharey [Inde] ; Vishal Singh [Inde] ; Mallikarjuna Rao Gedda [Inde] ; Amaresh Kumar Sahoo [Inde] ; Pritish Kumar Varadwaj [Inde] ; Bechan Sharma [Inde] | In silico study indicates antimalarials as direct inhibitors of SARS-CoV-2-RNA dependent RNA polymerase. |
| 000914 (2020) |
Muhammad Hamza [République populaire de Chine, Pakistan] ; Ashaq Ali [République populaire de Chine] ; Suliman Khan [République populaire de Chine] ; Saeed Ahmed [République populaire de Chine] ; Zarlish Attique [Pakistan] ; Saad Ur Rehman [Pakistan] ; Ayesha Khan [Pakistan] ; Hussain Ali [Pakistan] ; Muhammad Rizwan [Pakistan] ; Anum Munir [Pakistan] ; Arshad Mehmood Khan [Pakistan] ; Faiza Siddique [Pakistan] ; Azhar Mehmood [Pakistan] ; Faisal Nouroz [Pakistan] ; Sajid Khan [Pakistan] | nCOV-19 peptides mass fingerprinting identification, binding, and blocking of inhibitors flavonoids and anthraquinone of Moringa oleifera and hydroxychloroquine. |
| 000B65 (2020) |
Preeti Pandey [États-Unis] ; Jitendra Subhash Rane [Inde] ; Aroni Chatterjee [Inde] ; Abhijeet Kumar [Inde] ; Rajni Khan [Inde] ; Amresh Prakash [Inde] ; Shashikant Ray [Inde] | Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development. |
| 000B97 (2020) |
Soumita Mukherjee [Inde] ; Subrata Dasgupta [Inde] ; Tapasendra Adhikary [Inde] ; Utpal Adhikari [Inde] ; Sujit Sankar Panja [Inde] | Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study. |
| 000C24 (2020) |
Saurabh Gupta [Inde] ; Vishal Singh [Inde] ; Pritish Kumar Varadwaj [Inde] ; Navajeet Chakravartty [Inde] ; A V S Krishna Mohan Katta [Inde] ; Sivarama Prasad Lekkala [Inde] ; George Thomas [Inde] ; Srinivasan Narasimhan [Inde] ; Arjula R. Reddy [Inde] ; V B Reddy Lachagari [Inde] | Secondary metabolites from spice and herbs as potential multitarget inhibitors of SARS-CoV-2 proteins. |
| 000C27 (2020) |
Mallikarjuna Nimgampalle [Inde] ; Vasudharani Devanathan [Inde] ; Ambrish Saxena [Inde] | Screening of Chloroquine, Hydroxychloroquine and its derivatives for their binding affinity to multiple SARS-CoV-2 protein drug targets. |
| 000F39 (2020) |
Joyce Oloaigbe Ogidigo [Nigeria] ; Emmanuel A. Iwuchukwu [Afrique du Sud] ; Collins U. Ibeji [Afrique du Sud, Nigeria] ; Okiemute Okpalefe [Nigeria] ; Mahmoud E S. Soliman [Afrique du Sud] | Natural phyto, compounds as possible noncovalent inhibitors against SARS-CoV2 protease: computational approach. |
| 000F42 (2020) |
Priyanka Sharma [Inde] ; Asifkhan Shanavas [Inde] | Natural derivatives with dual binding potential against SARS-CoV-2 main protease and human ACE2 possess low oral bioavailability: a brief computational analysis. |
| 000F64 (2020) |
Hadjer Khelfaoui [Algérie] ; Dalal Harkati [Algérie] ; Basil A. Saleh [Iraq] | Molecular docking, molecular dynamics simulations and reactivity, studies on approved drugs library targeting ACE2 and SARS-CoV-2 binding with ACE2. |
| 001070 (2020) |
Satyajit Beura [Inde] ; Prabhakar Chetti [Inde] | In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2. |
| 001074 (2020) |
Adib Ghaleb [Maroc] ; Adnane Aouidate [Maroc] ; Hicham Ben El Ayouchia [Maroc] ; Mohammed Aarjane [Maroc] ; Hafid Anane [Maroc] ; Salah-Eddine Stiriba [Maroc, Espagne] | In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening. |
| 001077 (2020) |
Seref Gul [Turquie] ; Onur Ozcan [Turquie] ; Sinan Asar [Turquie] ; Alper Okyar [Turquie] ; Ibrahim Bar S [Turquie] ; Ibrahim Halil Kavakli [Turquie] | In silico identification of widely used and well-tolerated drugs as potential SARS-CoV-2 3C-like protease and viral RNA-dependent RNA polymerase inhibitors for direct use in clinical trials. |
| 001114 (2020) |
Kalirajan Rajagopal [Inde] ; Potlapati Varakumar [Inde] ; Baliwada Aparna [Inde] ; Gowramma Byran [Inde] ; Srikanth Jupudi [Inde] | Identification of some novel oxazine substituted 9-anilinoacridines as SARS-CoV-2 inhibitors for COVID-19 by molecular docking, free energy calculation and molecular dynamics studies. |
| 001416 (2020) |
Muhammad Amin [Pakistan] ; Ghazanfar Abbas [Pakistan] | Docking study of chloroquine and hydroxychloroquine interaction with RNA binding domain of nucleocapsid phospho-protein - an in silico insight into the comparative efficacy of repurposing antiviral drugs. |
