In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation

Chemical Biology and Drug Design

Volumn 74, Issue 3, 2009, Pages 258-265

  Bustanji, Yasser ^a,b   Al Masri, Ihab M ^b,c   Qasem, Ahmad ^a,d   Al Bakri, Amal G ^a   Taha, Mutasem Omar ^a  

^a UNIVERSITY OF JORDAN   (Jordan)

^b APPLIED SCIENCE PRIVATE UNIVERSITY   (Jordan)

^c Al Azhar University

^d NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

Acquired immune deficiency syndrome; Database virtual screening; Docking simulation; Human immunodeficiency virus type 1 reverse transcriptase; Physicochemical filtration; Reverse transcriptase

Indexed keywords

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; NEVIRAPINE; RILPIVIRINE; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; CRYSTALLIZATION; DATA BASE; DRUG SCREENING; DRUG STRUCTURE; FILTER; HIGH THROUGHPUT SCREENING; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; MOLECULAR WEIGHT; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; VIRTUAL REALITY;

ANTI-HIV AGENTS; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HIV REVERSE TRANSCRIPTASE; HUMANS; PHYSICOCHEMICAL PROCESSES; REVERSE TRANSCRIPTASE INHIBITORS; SOFTWARE;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 68949201024     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2009.00852.x     Document Type: Article

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