Biological activity of sporolides A and B from Salinispora tropica: In silico target prediction using ligand-based pharmacophore mapping and in vitro activity validation on HIV-1 reverse transcriptase

Chemical Biology and Drug Design

Volumn 83, Issue 3, 2014, Pages 350-361

  Dineshkumar, Kesavan ^a   Aparna, Vasudevan ^a   Madhuri, Kantilal Z ^a   Hopper, Waheeta ^a  

^a SRM INSTITUTE OF SCIENCE AND TECHNOLOGY   (India)

Author keywords

antiviral; HIV 1 reverse transcriptase; induced fit docking; pharmacophore; QikProp; Salinispora tropica; sporolides A and B

Indexed keywords

ADENOSINE A3 RECEPTOR; CALCIUM CHANNEL L TYPE; ENDOTHELIN RECEPTOR; MACROLIDE; MU OPIATE RECEPTOR; NATURAL PRODUCT; NEVIRAPINE; OXYTOCIN RECEPTOR; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; RNA DIRECTED RNA POLYMERASE; SPOROLIDE A; SPOROLIDE B; UNCLASSIFIED DRUG;

ACTINOBACTERIA; ANTIVIRAL ACTIVITY; ARTICLE; BINDING AFFINITY; BINDING SITE; BIOLOGICAL ACTIVITY; COMPUTER MODEL; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG TARGETING; FLUORESCENCE; IC 50; IN VITRO STUDY; LIGAND BINDING; MOLECULAR DOCKING; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN BINDING; SALINISPORA TROPICA; VALIDATION STUDY;

ACTINOBACTERIA (CLASS); HUMAN IMMUNODEFICIENCY VIRUS 1; SALINISPORA TROPICA;

ANTIVIRAL; HIV-1 REVERSE TRANSCRIPTASE; INDUCED FIT DOCKING; PHARMACOPHORE; QIKPROP; SALINISPORA TROPICA; SPOROLIDES A AND B;

BINDING SITES; CATALYTIC DOMAIN; COMPUTER SIMULATION; HIV REVERSE TRANSCRIPTASE; HIV-1; HUMANS; LIGANDS; MACROLIDES; MICROMONOSPORACEAE; MOLECULAR DOCKING SIMULATION; MOLECULAR SEQUENCE DATA; REVERSE TRANSCRIPTASE INHIBITORS; THERMODYNAMICS;

EID: 84896705470     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12252     Document Type: Article

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