[P1-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

English

[P1-1am-04] Designing Novel Organoselenium Derivatives as SARS-CoV-2 Main Protease Inhibitors by Integrating QSAR and LB-PaCS-MD Techniques

○Thanyada Rungrotmongkol^1,4, Borwornlak Toopradab¹, Wanting Xie², Kowit Hengphasatporn³, Phornphimon Maitarad², Athina Geronikaki⁵ (1. Center of Excellence in Structural and Computational Biology Research Unit, Department of Biochemistry, Faculty of Science, Bangkok 10330, Thailand, 2. Research Center of Nano Science and Technology, Department of Chemistry, College of Sciences, Shanghai University, Shanghai 200444, China, 3. Center for Computational Sciences, University of Tsukuba, Tennodai, Tsukuba, Ibaraki, Japan, 4. Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok 10330, Thailand, 5. Department of Pharmaceutical Chemistry, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki 54124, Greece)

Keywords:

Organoselenium,SARS-CoV-2,Main Protease,QSAR,LB-PaCS-MD