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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 1
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Letter to the Editor

Discovery of new AKT1 inhibitors by combination of in silico structure based virtual screening approaches and biological evaluations

Filip FratevDepartment of Pharmaceutical Sciences, School of Pharmacy, The University of Texas at El Paso, El Paso, TX, USA; ;Micar Innovation (Micar 21) Ltd, Sofia, Bulgaria;
,
Denisse A. GutierrezDepartment of Biological Sciences, The University of Texas at El Paso, El Paso, TX, USA;
,
Renato J. AguileraDepartment of Biological Sciences, The University of Texas at El Paso, El Paso, TX, USA;
,
Ashish TyagiDepartment of Urology, University of Louisville, Louisville, KY, USA
,
Chendil DamodaranDepartment of Urology, University of Louisville, Louisville, KY, USA
&
Suman SirimullaDepartment of Pharmaceutical Sciences, School of Pharmacy, The University of Texas at El Paso, El Paso, TX, USA; Correspondence[email protected]
ORCID Iconhttp://orcid.org/0000-0003-4665-6665
ORCID Icon
Pages 368-377 | Received 02 Nov 2019, Accepted 03 Nov 2019, Published online: 12 Feb 2020

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Vijay Kumar Veena, Ahana Roy Choudhury & Adhikesavan Harikrishnan. (2022) In vitro and in silico anti-leukemic activity of 2-amino-6-nitro-4-(4-oxo-2-thioxothiazolidin-5-yl)-4H-chromene-3-carbonitrile (ANC) through inhibition of anti-apoptotic Bcl-2 proteins. Journal of Biomolecular Structure and Dynamics 40:15, pages 7018-7026.
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Adhikesavan Harikrishnan, V. Veena, B. Lakshmi, R. Shanmugavalli, Sonia Theres, C. N. Prashantha, Tanya Shah, K. Oshin, Ringu Togam & Sisir Nandi. (2021) Atranorin, an antimicrobial metabolite from lichen Parmotrema rampoddense exhibited in vitro anti-breast cancer activity through interaction with Akt activity. Journal of Biomolecular Structure and Dynamics 39:4, pages 1248-1258.
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Articles from other publishers (3)

Huafeng Xu. (2022) The slow but steady rise of binding free energy calculations in drug discovery. Journal of Computer-Aided Molecular Design 37:2, pages 67-74.
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Eric R. Hantz & Steffen Lindert. (2022) Actives-Based Receptor Selection Strongly Increases the Success Rate in Structure-Based Drug Design and Leads to Identification of 22 Potent Cancer Inhibitors. Journal of Chemical Information and Modeling 62:22, pages 5675-5687.
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SM Bargeen Alam Turzo, Eric R. Hantz & Steffen Lindert. (2022) Applications of machine learning in computer-aided drug discovery. QRB Discovery 3.
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