Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation

Elmezayen AD(2020)Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes J Biomol Struct Dyn 47 119-121

Al-Obaidi A(2020)Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines J Genet Genomics 115 21-38

Şahin AT(2020)Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach J Biomol Struct Dyn 368 409-412

Yelekçi K(2020)Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations J Biomol Struct Dyn 2 209-215

Liu X(2020)An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets J Biomol Struct Dyn 33 345-356

Wang XJ(2015)The SARS-coronavirus papain-like protease: structure, function and inhibition by designed antiviral compounds Antiviral Res 16 519-35

Mahanta S(2020)Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods Acta Pharm Sin B 4 24-594

Chowdhury P(2020)Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors Science 18 592-13

Gogoi N(2020)Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach J Biomol Struct Dyn 8 1-6622

Aanouz I(2005)Inhibition of SARS-CoV 3C-like protease activity by theaflavin-3, 3’-digallate (TF3) Evidence-Based Complement Altern Med 19 6609-25

Elmezayen AD(2020)Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes J Biomol Struct Dyn 47 119-121

Al-Obaidi A(2020)Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines J Genet Genomics 115 21-38

Şahin AT(2020)Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach J Biomol Struct Dyn 368 409-412

Yelekçi K(2020)Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations J Biomol Struct Dyn 2 209-215

Liu X(2020)An in-silico evaluation of different Saikosaponins for their potency against SARS-CoV-2 using NSP15 and fusion spike glycoprotein as targets J Biomol Struct Dyn 33 345-356

Wang XJ(2015)The SARS-coronavirus papain-like protease: structure, function and inhibition by designed antiviral compounds Antiviral Res 16 519-35

Mahanta S(2020)Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods Acta Pharm Sin B 4 24-594

Chowdhury P(2020)Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors Science 18 592-13

Gogoi N(2020)Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2 via integrated computational approach J Biomol Struct Dyn 8 1-6622

Aanouz I(2005)Inhibition of SARS-CoV 3C-like protease activity by theaflavin-3, 3’-digallate (TF3) Evidence-Based Complement Altern Med 19 6609-25