Código QR (código de barras bidimensional)

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

2-(3‑bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl)-8-methyl-4H benzo[d][1,3]oxazin-4-one (2-BCBO) compound, was synthesized by the reaction of 3‑bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid in acetonitrile and methane sulfonyl chloride. The monoclinic crystal structure in C2/c spac...

Fuld beskrivelse

Na minha lista:
Principais autores: D. Rekharani, Naveen Shivalingegowda, Mahesha, M.V. Deepa Urs, B.S. Chethan, Lokanath Neratur Krishnappagowda
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2024-06-01
Serier:Chemical Physics Impact
Fag:
Crystal structure
Hirshfeld surface
Density functional theory
ADMET
Docking
Dynamics simulations
Online adgang:http://www.sciencedirect.com/science/article/pii/S2667022424000197
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!

Lignende værker