Discovery of new AKT1 inhibitors by combination of
in silico
structure based virtual screening approaches and biological evaluations
J Biomol Struct Dyn
.
2021 Jan;39(1):368-377.
doi: 10.1080/07391102.2020.1715835.
Epub 2020 Feb 12.
Authors
Filip Fratev
1
2
,
Denisse A Gutierrez
3
,
Renato J Aguilera
3
,
Ashish Tyagi
4
,
Chendil Damodaran
4
,
Suman Sirimulla
1
Affiliations
1
Department of Pharmaceutical Sciences, School of Pharmacy, The University of Texas at El Paso, El Paso, TX, USA.
2
Micar Innovation (Micar 21) Ltd, Sofia, Bulgaria.
3
Department of Biological Sciences, The University of Texas at El Paso, El Paso, TX, USA.
4
Department of Urology, University of Louisville, Louisville, KY, USA.
PMID:
31933423
DOI:
10.1080/07391102.2020.1715835
Abstract
Communicated by Ramaswamy H. Sarma.
Publication types
Letter
MeSH terms
Molecular Docking Simulation
Molecular Dynamics Simulation*