标题/作者	年份
Drug repurposing approach to fight COVID-19 TU Singh, S Parida, MC Lingaraju, M Kesavan, D Kumar, RK Singh Pharmacological Reports 72, 1479-1508	2020
Using X-ray images and deep learning for automated detection of coronavirus disease K El Asnaoui, Y Chawki Journal of Biomolecular Structure and Dynamics 39 (10), 3615-3626	2021
Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors–an in silico docking and molecular dynamics simulation study R Ghosh, A Chakraborty, A Biswas, S Chowdhuri Journal of Biomolecular Structure and Dynamics 39 (12), 4362-4374	2021
Targeting SARS-CoV-2 spike protein of COVID-19 with naturally occurring phytochemicals: an in silico study for drug development P Pandey, JS Rane, A Chatterjee, A Kumar, R Khan, A Prakash, S Ray Journal of Biomolecular Structure and Dynamics 39 (16), 6306-6316	2021
COVID-19 and therapy with essential oils having antiviral, anti-inflammatory, and immunomodulatory properties M Asif, M Saleem, M Saadullah, HS Yaseen, R Al Zarzour Inflammopharmacology 28, 1153-1161	2020
Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches A Kumar, G Choudhir, SK Shukla, M Sharma, P Tyagi, A Bhushan, ... Journal of Biomolecular Structure and Dynamics 39 (10), 3760-3770	2021
Withanone and caffeic acid phenethyl ester are predicted to interact with main protease (Mpro) of SARS-CoV-2 and inhibit its activity V Kumar, JK Dhanjal, SC Kaul, R Wadhwa, D Sundar Journal of Biomolecular Structure and Dynamics 39 (11), 3842-3854	2021
Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach L Mittal, A Kumari, M Srivastava, M Singh, S Asthana Journal of Biomolecular Structure and Dynamics 39 (10), 3662-3680	2021
Efficacy of favipiravir in COVID-19 treatment: a multi-center randomized study HM Dabbous, S Abd-Elsalam, MH El-Sayed, AF Sherief, FFS Ebeid, ... Archives of Virology 166, 949-954	2021
Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells V Kumar, JK Dhanjal, P Bhargava, A Kaul, J Wang, H Zhang, SC Kaul, ... Journal of Biomolecular Structure and Dynamics 40 (1), 1-13	2022
Remdesivir in the treatment of coronavirus disease 2019 (COVID-19): a simplified summary MA Hendaus Journal of Biomolecular Structure and Dynamics 39 (10), 3787-3792	2021
Identification of bioactive compounds from Glycyrrhiza glabra as possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study SK Sinha, SK Prasad, MA Islam, SS Gurav, RB Patil, NA AlFaris, ... Journal of Biomolecular Structure and Dynamics 39 (13), 4686-4700	2021
Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2—a molecular dynamic study MT Khan, A Ali, Q Wang, M Irfan, A Khan, MT Zeb, YJ Zhang, ... Journal of Biomolecular Structure and Dynamics 39 (10), 3627-3637	2021
Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 via RNA‐dependent RNA polymerase (RdRp) inhibition: an in-silico analysis S Singh, MF Sk, A Sonawane, P Kar, S Sadhukhan Journal of Biomolecular Structure and Dynamics 39 (16), 6249-6264	2021
Design of multi-epitope vaccine candidate against SARS-CoV-2: a in-silico study K Abraham Peele, T Srihansa, S Krupanidhi, VS Ayyagari, ... Journal of Biomolecular Structure and Dynamics 39 (10), 3793-3801	2021
An updated and comprehensive review of the antiviral potential of essential oils and their chemical constituents with special focus on their mechanism of action against various influenza and coronaviruses AR Wani, K Yadav, A Khursheed, MA Rather Microbial Pathogenesis 152, 104620	2021
RNA-dependent RNA polymerase: Structure, mechanism, and drug discovery for COVID-19 Y Jiang, W Yin, HE Xu Biochemical and biophysical research communications 538, 47-53	2021
Antiviral effects of probiotic metabolites on COVID-19 F Anwar, HN Altayb, FA Al-Abbasi, AL Al-Malki, MA Kamal, V Kumar Journal of Biomolecular Structure and Dynamics 39 (11), 4175-4184	2021
A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem) S Borkotoky, M Banerjee Journal of Biomolecular Structure and Dynamics 39 (11), 4111-4121	2021
Molecular docking, simulation and MM-PBSA studies of nigella sativa compounds: a computational quest to identify potential natural antiviral for COVID-19 treatment S Ahmad, HW Abbasi, S Shahid, S Gul, SW Abbasi Journal of Biomolecular Structure and Dynamics 39 (12), 4225-4233	2021

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