Discovery of HIV-1 Integrase Inhibitors: Pharmacophore Mapping, Virtual Screening, Molecular Docking, Synthesis, and Biological Evaluation

2013 ◽  
Vol 83 (2) ◽  
pp. 154-166 ◽  
Author(s):  
Hardik Bhatt ◽  
Paresh Patel ◽  
Christophe Pannecouque
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Integrase Inhibitors ◽  
Pharmacophore Mapping ◽  
Synthesis And Biological Evaluation ◽  
Hiv 1

scholarly journals Design, Synthesis, and Biological Evaluation of 1,2-Dihydroisoquinolines as HIV-1 Integrase Inhibitors

2015 ◽  
Vol 6 (10) ◽  
pp. 1065-1070 ◽  
Author(s):  
Vibha Tandon ◽  
Urvashi ◽  
Pooja Yadav ◽  
Souvik Sur ◽  
Sheenu Abbat ◽  
...  
Keyword(s):  
Biological Evaluation ◽  
Integrase Inhibitors ◽  
Design Synthesis ◽  
Synthesis And Biological Evaluation ◽  
Hiv 1

Synthesis and biological evaluation of HQCAs with aryl or benzyl substituents on N-1 position as potential HIV-1 integrase inhibitors

2011 ◽  
Vol 19 (18) ◽  
pp. 5553-5558 ◽  
Author(s):  
Qiu-Qin He ◽  
Xuan Zhang ◽  
Hai-Qiu Wu ◽  
Shuang-Xi Gu ◽  
Xiao-Dong Ma ◽  
...  
Keyword(s):  
Biological Evaluation ◽  
Integrase Inhibitors ◽  
Synthesis And Biological Evaluation ◽  
Hiv 1

scholarly journals Ligand-based pharmacophore modeling, virtual screening and biological evaluation to identify novel TGR5 agonists

RSC Advances ◽  
2021 ◽  
Vol 11 (16) ◽  
pp. 9403-9409
Author(s):  
Shizhen Zhao ◽  
Xinping Li ◽  
Wenjing Peng ◽  
Le Wang ◽  
Wenling Ye ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Pharmacophore Modeling ◽  
Biological Evaluation ◽  
Pharmacophore Mapping

The ligand-based virtual screening combined with pharmacophore mapping and molecular docking was performed to identify novel nonsteroidal TGR5 agonists.

Synthesis and Biological Evaluation of Quinolone Acid Derivatives Having Polyhydroxylated Aromatics as HIV-1 Integrase Inhibitions

2013 ◽  
Vol 634-638 ◽  
pp. 1116-1119 ◽  
Author(s):  
Xue Mei Xu ◽  
Zai Gang Luo ◽  
Kuai He ◽  
Ming Yang Zhang
Keyword(s):  
Transfer Process ◽  
Biological Evaluation ◽  
Strand Transfer ◽  
Integrase Inhibitors ◽  
Chemical Library ◽  
Aromatic Substituent ◽  
Small Chemical ◽  
Synthesis And Biological Evaluation ◽  
Hiv 1

A small chemical library of quinolone acid derivatives were synthesized as potential HIV-1 integrase inhibitors and evaluated their inhibition to the strand transfer process of HIV-1 integrase. Their structures were characterized by NMR, MS and HRMS. The result indicates that quinolone acid derivatives having 3,4,5-trihydroxylated aromatic substituent on the N-1 position of quinolone ring exhibit good inhibition with IC50 of 2.6 μM.

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