Author/Authors
Bhole, Ritesh Padmashree Dr. D. Y. Patil Institute of Pharmaceutical Sciences Research - Department of Pharm Chemistry and Drug Discovery, India , Patil, Prashant Sharad Pawar College of Pharmacy - Department of Pharm Chemistry and Drug Discovery, India , Agale, Pritam Sharad Pawar College of Pharmacy - Department of Pharm Chemistry and Drug Discovery, India , Wate, Sanjay Sharad Pawar College of Pharmacy - Department of Pharm Chemistry and Drug Discovery, India
Title Of Article
Design and synthesis of some new heterocyclic benzylidene hydrazide derivatives for their antileishmanial activity
شماره ركورد
18759
Abstract
Benzylidene hydrazide is a highly active moiety against Leishmania donovani, and has become a core structure for the design of new antileishmanial agents. The 5-nitrothiophen-2-yl-benzylidene hydrazide derivative presents a potent IC50 value. With this background, it is attempted to discern the structural and physicochemical requirements for the inhibition of Leishmania donovani. The techniques of quantitative structure activity relationship and docking are valuable molecular modeling tools for drug design. In the present study, 3-DQSAR of some Leishmania donovani inhibitors was carried out using VLife MDS, while interaction studies were carried usind Schrodinger molecular modeling interface. The developed QSAR models showed q2 = 0.9849, pred_r2 = 0.6770 with kNN analysis by stepwise forward and backward method. Docking study revealed important interactions of designed compounds with the active binding site of Leishmania donovani. Designed compounds were synthesis and screened against Leishmania donovani. Three compounds exhibited IC50 values lower than standard drugs. Brief SAR analysis revealed that substitution is important to the activity.
From Page
131
NaturalLanguageKeyword
benzylidene hydrazide derivatives , antileishmanial activity , 3D , QSAR , docking
JournalTitle
Journal of Research in Pharmacy
To Page
137
JournalTitle
Journal of Research in Pharmacy
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