Bioactive
Small Molecules
5683066
5683066 (click to show)
5683066 (click to hide)
Title:
Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis
Reference:
J Chem Inf Model. 2012 Mar 26;52(3):696-710. doi: 10.1021/ci2005516. Epub 2012 Feb 28.
Authors:
Falgun Shah, Jiri Gut, Jennifer Legac, Devleena Shivakumar, Woody Sherman, Philip J. Rosenthal, and Mitchell A. Avery
Compounds:
7895513 (
7895513
), 5217021 (
5217021
), 5662148 (
5662148
), 5683066 (
5683066
), 5920719 (
5920719
)
![[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio]acetonitrile](/img/SC/568/5683066.jpeg "[(4-oxo-3-phenyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio]acetonitrile")