SERS and MD simulation studies of a kinase inhibitor demonstrate the emergence of a potential drug discovery tool

Proceedings of the National Academy of Sciences of the United States of America

Volumn 111, Issue 29, 2014, Pages 10416-10421

  Karthigeyan, Dhanasekaran ^a   Siddhanta, Soumik ^a   Kishore, Annavarapu Hari ^b   Perumal, Sathya S R R ^c   Ågren, Hans ^c   Sudevan, Surabhi ^a   Bhat, Akshay V ^a   Balasubramanyam, Karanam ^a   Subbegowda, Rangappa Kanchugarakoppal ^b   Kundu, Tapas K ^a   Narayana, Chandrabhas ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^b UNIVERSITY OF MYSORE   (India)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Ligand binding; Structure activity relationship; Vibrational spectroscopy

Indexed keywords

AMLODIPINE; AURORA B KINASE; FELODIPINE; NICARDIPINE; NIMODIPINE; NITRENDIPINE;

ANEUPLOIDY; ARTICLE; CANCER RISK; CELL PROLIFERATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; ENZYME ACTIVITY; FEMALE; HEART RATE; HISTONE PHOSPHORYLATION; HUMAN; HUMAN CELL; HYDROGEN BOND; HYDROPHOBICITY; HYPERTENSION; IN VIVO STUDY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; POINT MUTATION; PRIORITY JOURNAL; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; RAMAN SPECTROMETRY; SMOOTH MUSCLE FIBER; SURFACE ENHANCED RAMAN SPECTROSCOPY; SURFACE PROPERTY; TUMOR GROWTH;

LIGAND BINDING; STRUCTURE-ACTIVITY RELATIONSHIP; VIBRATIONAL SPECTROSCOPY;

ANIMALS; AURORA KINASE A; AURORA KINASE B; BINDING, COMPETITIVE; CELL CYCLE; CELL DEATH; DISEASE PROGRESSION; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DISCOVERY; FELODIPINE; HELA CELLS; HUMANS; KINETICS; MICE; MICE, NUDE; MOLECULAR DYNAMICS SIMULATION; NEOPLASMS; PROTEIN KINASE INHIBITORS; REPRODUCIBILITY OF RESULTS; SPECTRUM ANALYSIS, RAMAN; SPINDLE POLES; SURFACE PROPERTIES;

EID: 84904659991     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1402695111     Document Type: Article

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