In silico study of 3-hydroxypyrimidine-2,4-diones as inhibitors of HIV RT-associated RNase H using molecular docking, molecular dynamics, 3D-QSAR, and pharmacophore models
Author:
Affiliation:
1. Key Laboratory for Green Chemical Process of Ministry of Education
2. School of Chemical Engineering and Pharmacy
3. Wuhan Institute of Technology
4. Wuhan 430205
5. P. R. China
Abstract
Rational design and virtual screening of novel inhibitors of HIV reverse transcriptase associated ribonuclease H based on a combined molecular modeling study.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Hubei Province
Hubei Provincial Department of Education
Publisher
Royal Society of Chemistry (RSC)
Subject
Materials Chemistry,General Chemistry,Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2019/NJ/C9NJ03353J
Reference34 articles.
1. Twenty years of therapy for HIV-1 infection
2. The Discovery of HIV as the Cause of AIDS
3. Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy?
4. Crystal Structure of the Ribonuclease H Domain of HIV-1 Reverse Transcriptase
5. 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity
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