A novel pyrazole derivative as COVID-19 main protease inhibitor: Synthesis, quantum computational studies, pharmacokinetic properties, drug likeness, molecular docking and dynamics simulation; a CADD approach

Autor: Rekharani, D., Shivalingegowda, Naveen, Mahesha, Urs, M.V. Deepa, Chethan, B.S., Krishnappagowda, Lokanath Neratur
Zdroj: In Chemical Physics Impact June 2024 8
Databáze: ScienceDirect