Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agents

Journal of Computer-Aided Molecular Design

Volumn 28, Issue 12, 2014, Pages 1247-1256

  Kumar, Vikash ^a   Khan, Saman ^a   Gupta, Priyanka ^a   Rastogi, Namrata ^a   Mishra, Durga Prasad ^a,b   Ahmed, Shakil ^a,b   Siddiqi, Mohammad Imran ^a,b  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

^b ACADEMY OF SCIENTIFIC AND INNOVATIVE RESEARCH ACSIR   (India)

Author keywords

Anti cancer agents; Chk1 inhibitor; Molecular docking; Molecular modelling; Pharmacophore based screening

Indexed keywords

AMINO ACIDS; CANCER CELLS; CELL CULTURE; CELLS; CHEMOTHERAPY; DISEASES; ENZYMES; MOLECULES; PHARMACODYNAMICS; VIRTUAL REALITY;

ACTIVE SITE; ANTI-CANCER AGENTS; CANCER CELL LINES; CANCER DEVELOPMENT; CANCER PROGRESSION; CHECKPOINT KINASE-1 INHIBITOR; MOLECULAR DOCKING; PHARMACOPHORE-BASED SCREENING; PHARMACOPHORES; VIRTUAL SCREENING;

MOLECULAR MODELING;

ANTINEOPLASTIC AGENT; CHECKPOINT KINASE 1; PROTEIN SERINE THREONINE KINASE INHIBITOR; SPB 07479; UNCLASSIFIED DRUG; CARBANILAMIDE DERIVATIVE; NICOTINIC ACID; PROTEIN KINASE; PROTEIN KINASE INHIBITOR; SPB07479;

ANTINEOPLASTIC ACTIVITY; ANTIPROLIFERATIVE ACTIVITY; ARTICLE; CANCER CELL; CELL CYCLE PROGRESSION; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG CYTOTOXICITY; DRUG IDENTIFICATION; DRUG SCREENING; HUMAN; HUMAN CELL; IN VITRO STUDY; MOLECULAR DOCKING; MULTINUCLEAR CELL; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; YEAST CELL; ANALOGS AND DERIVATIVES; CHEMISTRY; COMPUTER INTERFACE; DNA DAMAGE; DRUG EFFECTS; GENETICS; NEOPLASMS; PHOSPHORYLATION; TUMOR CELL LINE;

CELL LINE, TUMOR; DNA DAMAGE; HUMANS; NEOPLASMS; NIACIN; PHENYLUREA COMPOUNDS; PHOSPHORYLATION; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; USER-COMPUTER INTERFACE;

EID: 84922079812     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-014-9800-9     Document Type: Article

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