Bioactive Small Molecules

7895513

7895513 (click to show)

7895513 (click to hide)

Title:

Identification of Novel Malarial Cysteine Protease Inhibitors Using Structure-Based Virtual Screening of a Focused Cysteine Protease Inhibitor Library

Reference:

J Chem Inf Model. 2011 Apr 25;51(4):852-64. Epub 2011 Mar 23.

Authors:

Falgun Shah, Prasenjit Mukherjee, Jiri Gut, Jennifer Legac, Philip J. Rosenthal, Babu L. Tekwani, and Mitchell A. Avery

Compounds:

7895513 (7895513), 5324337 (5324337), 6377200 (6377200)

7895513 (click to show)

7895513 (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)