Molecular modeling studies of atorvastatin analogues as HMGR inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations-Reference-Cited by-同舟云学术

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Molecular modeling studies of atorvastatin analogues as HMGR inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations

Published:2014-08 Issue:16 Volume:24 Page:3869-3876
ISSN:0960-894X
Container-title:Bioorganic & Medicinal Chemistry Letters
language:en
Short-container-title:Bioorganic & Medicinal Chemistry Letters

Author:

Wang Zhi,Cheng Liping,Kai Zhenpeng,Wu Fanhong,Liu Zhuoyu,Cai Minfeng

Funder

National Natural Science Foundation of China

Scientific Research Innovation Project of Shanghai

‘College Students’ Innovative Activities’ of Shanghai

Publisher

Elsevier BV

Subject

Organic Chemistry,Clinical Biochemistry,Drug Discovery,Pharmaceutical Science,Molecular Biology,Molecular Medicine,Biochemistry

Reference34 articles.

1. Cholesterol and Coronary Heart Disease

2. Hypercholesterolaemia

3. Substrate-induced closure of the flap domain in the ternary complex structures provides insights into the mechanism of catalysis by 3-hydroxy-3-methylglutaryl-CoA reductase

4. Crystal structure of the catalytic portion of human HMG-CoA reductase: insights into regulation of activity and catalysis

5. Explication of interactions between HMGCR isoform 2 and various statins through In silico modeling and docking

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2. Computer-Aided and AILDE Approaches to Design Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors;International Journal of Molecular Sciences;2022-07-15

3. Significance of stressor media on the stability of statins: a critical assessment;Chemical Papers;2022-06-30

4. A Combined Approach of Pharmacophore Modeling, QSAR Study, Molecular Docking and In silico ADME/Tox Prediction of 4-Arylthio & 4-Aryloxy-3- Iodopyridine-2(1H)-one Analogs to Identify Potential Reverse Transcriptase Inhibitor: Anti-HIV Agents;Medicinal Chemistry;2022-01

5. Enantioselective Synthesis of Acyclic Stereotriads Featuring Fluorinated Tetrasubstituted Stereocenters;Chemistry – A European Journal;2021-12-13

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