©1996-2019. All Rights Reserved. Online Journal of Bioinformatics . You may not store these pages in any form except for your own personal use. All other usage or distribution is illegal under international copyright treaties. Permission to use any of these pages in any other way besides the before mentioned must be gained in writing from the publisher. This article is exclusively copyrighted in its entirety to OJB publications. This article may be copied once but may not be, reproduced or re-transmitted without the express permission of the editors. This journal satisfies the refereeing requirements (DEST) for the Higher Education Research Data Collection (Australia). Linking:To link to this page or any pages linking to this page you must link directly to this page only here rather than put up your own page.
Online Journal of Bioinformatics ©
Volume 16 (2): 121-128, 2015.
In Silico inhibitors for PTP1B as drug target for diabetes
Galande S, Ambhore S, Jena L, Kumar S*
Biochemistry & Bioinformatics Centre, Mahatma Gandhi Institute of Medical Sciences, Sevagram(Wardha), Maharashtra, India.
Galande S, Ambhore S, Jena L, Kumar S., In Silico inhibitors for PTP1B as a drug target for diabetes, Onl J Bioinform, 16 (2): 121-128, 2015.Tyrosine phosphatases-1B (PTP1B) have been identified as a drug target for diabetes as they regulate tyrosine phosphorylation-dependent signaling events. We describe natural inhibitors against PTP1B by virtual screening using PyRx0.8 and compared its binding affinity with PTP1B inhibitor FTY (Deoxy-Difluoromethelene-Phosphotyrosine). SN00158250 (16-hydroxy-3,5-dioxa-10-aza pentacyclo [220.127.116.11²,⁶.0⁸,¹⁹.0¹³,¹⁸] nonadeca-1,6,8(19),11,13,15,17-heptaen-9-one), has been identified as an effective inhibitor for PTP1B. Functional groups of FTY were added to SN00158250: docking with AutoDock4.2 revealed another 2 compounds able to interact with PTP1B.
Keywords: Diabetes, PTP1B, virtual screening, natural ligands, docking.