Novel hydrazine derivatives as selective DPP-IV inhibitors: Findings from virtual screening and validation through molecular dynamics simulations

Journal of Molecular Modeling

Volumn 20, Issue 4, 2014, Pages

  Tanwar, Omprakash ^a   Deora, Girdhar Singh ^b,c   Tanwar, Lalima ^d   Janardhan, Sridhara ^e   Alam, Md Mumtaz ^a   Shaquiquzzaman, Md ^a   Akhter, Mymoona ^a  

^a HAMDARD UNIVERSITY   (India)

^b UNIVERSITY OF HYDERABAD   (India)

^c UNIVERSITY OF QUEENSLAND   (Australia)

^d DEVI AHILYA UNIVERSITY   (India)

^e Raghavendra Institute of Pharmaceutical Education and Research (RIPER)   (India)

Author keywords

Dipeptidyl peptidase IV inhibitor; Hydrazine derivative; Molecular dynamics; Sitagliptine; Virtual screening

Indexed keywords

ALOGLIPTIN; SITAGLIPTIN; DIPEPTIDYL PEPTIDASE IV; DIPEPTIDYL PEPTIDASE IV INHIBITOR; HYDRAZINE; HYDRAZINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; ENZYME STABILITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRIORITY JOURNAL; SCREENING; VALIDATION STUDY; VIRTUAL SCREENING; CHEMICAL PHENOMENA; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; DRUG DEVELOPMENT; ENZYME ACTIVE SITE; HYDROGEN BOND; PROTEIN BINDING; REPRODUCIBILITY;

CATALYTIC DOMAIN; COMPUTER SIMULATION; DIPEPTIDYL PEPTIDASE 4; DIPEPTIDYL-PEPTIDASE IV INHIBITORS; DRUG DISCOVERY; HYDRAZINES; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; REPRODUCIBILITY OF RESULTS;

EID: 84897122919     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2118-7     Document Type: Article

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