Insights from a computational analysis of the SARS-CoV-2 Omicron variant: Host-pathogen interaction, pathogenicity and possible therapeutics

no code implementations • 20 Jan 2022 • Md Sorwer Alam Parvez, Manash Kumar Saha, Md. Ibrahim, Yusha Araf, Md. Taufiqul Islam, Gen Ohtsuki, Mohammad Jakir Hosen

Prominently accountable for the upsurge of COVID-19 cases as the world attempts to recover from the previous two waves, Omicron has further threatened the conventional therapeutic approaches.

Management Molecular Docking

Virtual Screening of Plant Metabolites against Main protease, RNA-dependent RNA polymerase and Spike protein of SARS-CoV-2: Therapeutics option of COVID-19

no code implementations • 22 May 2020 • Md Sorwer Alam Parvez, Kazi Faizul Azim, Abdus Shukur Imran, Topu Raihan, Aklima Begum, Tasfia Saiyara Shammi, Sabbir Howlader, Farhana Rumzum Bhuiyan, Mahmudul Hasan

The molecular interaction study revealed that Rifampin (-16. 3 kcal/mol) were topmost inhibitor of MPP where Azobechalcone were found most potent plant therapeutics for blocking the RdRp (-15. 9 kcal /mol) and S (-14. 4 kcal/mol) protein of SARS-CoV-2.

Blocking Molecular Docking