Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

Gene

Volumn 539, Issue 1, 2014, Pages 82-90

  Yadav, Inderjit S ^a,b   Nandekar, Prajwal P ^c   Shrivastava, Shambhavi ^a   Sangamwar, Abhay ^c   Chaudhury, Ashok ^b   Agarwal, Subhash Mohan ^a  

^a INSTITUTE OF CYTOLOGY AND PREVENTIVE ONCOLOGY   (India)

^b GURU JAMBHESHWAR UNIVERSITY OF SCIENCE AND TECHNOLOGY   (India)

^c NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

Curcumin; EGFR; Ensemble docking; Molecular dynamics; Tyrosine kinase

Indexed keywords

CURCUMIN; EGFR; ENSEMBLE DOCKING; MOLECULAR DYNAMICS; TYROSINE KINASE;

ANTINEOPLASTIC AGENTS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; CURCUMIN; DRUG DISCOVERY; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NEOPLASMS; RECEPTOR, EPIDERMAL GROWTH FACTOR; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84894312360     PISSN: 03781119     EISSN: 18790038     Source Type: Journal    
DOI: 10.1016/j.gene.2014.01.056     Document Type: Article

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