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Items: 1 to 20 of 250

1.

Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network.

Xia J, Flynn W, Gallicchio E, Uplinger K, Armstrong JD, Forli S, Olson AJ, Levy RM.

J Chem Inf Model. 2019 Feb 13. doi: 10.1021/acs.jcim.8b00817. [Epub ahead of print]

PMID:
30758197
2.

Quinoline-based protein-protein interaction inhibitors of LEDGF/p75 and HIV integrase: An in silico study.

Chhokar N, Kalra S, Chauhan M, Munshi A, Kumar R.

Curr Top Med Chem. 2019 Feb 8. doi: 10.2174/1568026619666190208164801. [Epub ahead of print]

PMID:
30747071
3.

Relationship between HIV integrase polymorphisms and integrase inhibitor susceptibility: An in silico analysis.

Hutapea HML, Maladan Y, Widodo.

Heliyon. 2018 Dec 1;4(12):e00956. doi: 10.1016/j.heliyon.2018.e00956. eCollection 2018 Dec.

4.

Prediction of HIV integrase resistance mutation using in silico approaches.

da Silva HHSA, Pereira N, Brandão L, Crovella S, Moura R.

Infect Genet Evol. 2019 Mar;68:10-15. doi: 10.1016/j.meegid.2018.11.014. Epub 2018 Nov 17.

PMID:
30453083
5.

Efficient discrimination of natural stereoisomers of chicoric acid, an HIV-1 integrase inhibitor.

Nobela O, Renslow RS, Thomas DG, Colby SM, Sitha S, Njobeh PB, du Preez L, Tugizimana F, Madala NE.

J Photochem Photobiol B. 2018 Dec;189:258-266. doi: 10.1016/j.jphotobiol.2018.10.025. Epub 2018 Nov 2.

PMID:
30419521
6.

The Design of New HIV-IN Tethered Bifunctional Inhibitors using Multiple Microdomain Targeted Docking.

Ciubotaru M, Musat MG, Surleac M, Ionita E, Petrescu AJ, Abele E, Abele R.

Curr Med Chem. 2018 Apr 5. doi: 10.2174/0929867325666180406114405. [Epub ahead of print]

PMID:
29623824
7.

Quionolone carboxylic acid derivatives as HIV-1 integrase inhibitors: Docking-based HQSAR and topomer CoMFA analyses.

Tong J, Zhan P, Wang XS, Wu Y.

J Chemom. 2017 Dec;31(12). pii: e2934. doi: 10.1002/cem.2934. Epub 2017 Aug 29.

8.

Synthesis and evaluation of substituted 4-arylimino-3-hydroxybutanoic acids as potential HIV-1 integrase inhibitors.

Faridoon, Mnkandhla D, Isaacs M, Hoppe HC, Kaye PT.

Bioorg Med Chem Lett. 2018 Apr 1;28(6):1067-1070. doi: 10.1016/j.bmcl.2018.02.020. Epub 2018 Feb 12.

PMID:
29482943
9.

1,2,3,4-Tetrahydroisoquinolines as inhibitors of HIV-1 integrase and human LEDGF/p75 interaction.

George A, Gopi Krishna Reddy A, Satyanarayana G, Raghavendra NK.

Chem Biol Drug Des. 2018 Jun;91(6):1133-1140. doi: 10.1111/cbdd.13175. Epub 2018 Mar 15.

PMID:
29405651
10.

Extracting functional groups of ALLINI to design derivatives of FDA-approved drugs: Inhibition of HIV-1 integrase.

Kalathiya U, Padariya M, Baginski M.

Biotechnol Appl Biochem. 2018 Jul;65(4):594-607. doi: 10.1002/bab.1646. Epub 2018 Feb 21.

PMID:
29405478
11.

Molecular docking, QSAR and ADMET based mining of natural compounds against prime targets of HIV.

Vora J, Patel S, Sinha S, Sharma S, Srivastava A, Chhabria M, Shrivastava N.

J Biomol Struct Dyn. 2019 Jan;37(1):131-146. doi: 10.1080/07391102.2017.1420489. Epub 2018 Jan 7.

PMID:
29268664
12.

Quantitative structure-activity relationship of anti-HIV integrase and reverse transcriptase inhibitors using norm indexes.

Wang Y, Yan F, Jia Q, Dai Y, Wang Q.

SAR QSAR Environ Res. 2017 Dec;28(12):1025-1044. doi: 10.1080/1062936X.2017.1397055. Epub 2017 Nov 20.

PMID:
29157005
13.

An effective HIV-1 integrase inhibitor screening platform: Rationality validation of drug screening, conformational mobility and molecular recognition analysis for PFV integrase complex with viral DNA.

Du W, Zuo K, Sun X, Liu W, Yan X, Liang L, Wan H, Chen F, Hu J.

J Mol Graph Model. 2017 Nov;78:96-109. doi: 10.1016/j.jmgm.2017.10.002. Epub 2017 Oct 5.

PMID:
29055187
14.

1-Hydroxypyrido[2,3-d]pyrimidin-2(1H)-ones as novel selective HIV integrase inhibitors obtained via privileged substructure-based compound libraries.

Gao P, Zhang L, Sun L, Huang T, Tan J, Zhang J, Zhou Z, Zhao T, Menéndez-Arias L, Pannecouque C, Clercq E, Zhan P, Liu X.

Bioorg Med Chem. 2017 Oct 15;25(20):5779-5789. doi: 10.1016/j.bmc.2017.09.006. Epub 2017 Sep 8.

PMID:
28951095
16.

Discovery of a Novel HIV-1 Integrase/p75 Interacting Inhibitor by Docking Screening, Biochemical Assay, and in Vitro Studies.

Wang Y, Lin HQ, Wang P, Hu JS, Ip TM, Yang LM, Zheng YT, Chi-Cheong Wan D.

J Chem Inf Model. 2017 Sep 25;57(9):2336-2343. doi: 10.1021/acs.jcim.7b00402. Epub 2017 Sep 11.

PMID:
28837332
17.

Dynamics and regulation of nuclear import and nuclear movements of HIV-1 complexes.

Burdick RC, Delviks-Frankenberry KA, Chen J, Janaka SK, Sastri J, Hu WS, Pathak VK.

PLoS Pathog. 2017 Aug 21;13(8):e1006570. doi: 10.1371/journal.ppat.1006570. eCollection 2017 Aug.

18.

Characterization of HIV-1 integrase interaction with human Ku70 protein and initial implications for drug targeting.

Anisenko AN, Knyazhanskaya ES, Zalevsky AO, Agapkina JY, Sizov AI, Zatsepin TS, Gottikh MB.

Sci Rep. 2017 Jul 17;7(1):5649. doi: 10.1038/s41598-017-05659-5.

19.

Molecular Docking and Molecular Dynamics Simulation Based Approach to Explore the Dual Inhibitor Against HIV-1 Reverse Transcriptase and Integrase.

Chander S, Pandey RK, Penta A, Choudhary BS, Sharma M, Malik R, Prajapati VK, Murugesan S.

Comb Chem High Throughput Screen. 2017;20(8):734-746. doi: 10.2174/1386207320666170615104703.

PMID:
28641512
20.

L368F/V408F double mutant of IBD of LEDGF/p75 retains interaction with M178I mutant of HIV-1 integrase.

George A, Raghavendra NK.

Biochem Biophys Res Commun. 2017 Aug 19;490(2):271-275. doi: 10.1016/j.bbrc.2017.06.035. Epub 2017 Jun 10.

PMID:
28610923

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