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OJBTM
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 [9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]
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.
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