Prospective computational design and in vitro bio-analytical tests of new chemical entities as potential selective CYP17A1 lyase inhibitors-Reference-Cited by-同舟云学术

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Prospective computational design and in vitro bio-analytical tests of new chemical entities as potential selective CYP17A1 lyase inhibitors

Published:2020-01 Issue: Volume:94 Page:103462
ISSN:0045-2068
Container-title:Bioorganic Chemistry
language:en
Short-container-title:Bioorganic Chemistry

Author:

Gumede N.J.,Nxumalo W.,Bisetty K.,Escuder Gilabert L.,Medina-Hernandez M.J.,Sagrado S.

Funder

National Research Foundation of South Africa

First Rand Foundation

Research Capacity Development Initiative-South African Medical Research Council

Publisher

Elsevier BV

Subject

Organic Chemistry,Drug Discovery,Molecular Biology,Biochemistry

Reference68 articles.

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3. Molecular Modeling on inhibitor complexes and active-site Dynamics of Cytochrome P450 C17, a target for prostate cancer therapy;Haider;J. Mol. Biol.,2010

4. Targeting CYP17: established and novel approaches in prostate cancer;Yap;Curr. Opinin. Pharmacol.,2008

5. Modeling androgen receptor flexibility: a binding mode hypothesis of CYP17 inhibitors/antiandrogens for prostate cancer therapy;Gianti;J. Chem. Inf. Model.,2012

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1. In silico and in vitro assessment of drugs potentially causing adverse effects by inhibiting CYP17A1;Toxicology and Applied Pharmacology;2024-05

2. Exploring the Chemical Space of CYP17A1 Inhibitors Using Cheminformatics and Machine Learning;Molecules;2023-02-09

3. Pathfinder-Driven Chemical Space Exploration and Multiparameter Optimization in Tandem with Glide/IFD and QSAR-Based Active Learning Approach to Prioritize Design Ideas for FEP+ Calculations of SARS-CoV-2 PLpro Inhibitors;Molecules;2022-12-05

4. The discovery of BMS-737 as a potent, CYP17 lyase-selective inhibitor for the treatment of castration-resistant prostate cancer;Bioorganic & Medicinal Chemistry Letters;2022-11

5. Investigation of new schiff base transition metal (II) complexes theoretical, antidiabetic and molecular docking studies;Journal of Molecular Structure;2022-07

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