Multitarget inhibitors for TryS, TryR and TryP in Leishmania donovani (Paperback)

The present study focuses on multi target inhibitors search based on proteins of Trypanothione pathway. For this we had modelled TryS, TryR and TryP proteins using Homology modelling and validated, based on which docking calculations were done. In the next step, active sites were explored to allow compounds to dock. Finally, we screened common hits amongst these protein targets. Top compounds were validated and their ADME profiles were also predicted. Some ligands shown good Glide Gscore in all three protein Targets. Interaction profiles can be further utilized to build computational novel structures. The further work needed to fit the hits molecules in assays to validate hits and refine or optimize the hit molecules.

General

Imprint:	Lap Lambert Academic Publishing
Country of origin:	Germany
Release date:	August 2012
First published:	August 2012
Authors:	Vikas Gautam • Ganesh C. Sahoo • Pradeep Das
Dimensions:	229 x 152 x 7mm (L x W x T)
Format:	Paperback - Trade
Pages:	108
ISBN-13:	978-3-659-21284-0
Categories:	Books > Medicine > Other branches of medicine > Pharmacology > General
LSN:	3-659-21284-9
Barcode:	9783659212840

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