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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 [18.104.22.168²,⁶.0⁸,¹⁹.0¹³,¹⁸] 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.