Identification of ZINC02765569: a potent inhibitor of PTP1B by vHTS

Prashant Joshi; Girdhar Singh Deora; Vandana Rathore; Omprakash Tanwar; Arun K. Rawat; A. K. Srivastava; Deepti Jain

doi:10.1007/s00044-012-0007-0

Identification of ZINC02765569: a potent inhibitor of PTP1B by vHTS

Prashant Joshi, Girdhar Singh Deora, Vandana Rathore, Omprakash Tanwar, Arun K. Rawat, A. K. Srivastava, Deepti Jain

Research output: Contribution to journal › Article › Research › peer-review

18 Citations (Scopus)

Abstract

The present study describes identification of a novel lead molecule ZINC02765569 for inhibition of protein tyrosine phosphatase 1B (PTP1B) enzyme by a high-throughput virtual screening of Zinc database against catalytic domain of PTP1B employing docking algorithm Glide. The identified hit molecule ZINC02765569 was synthesized and evaluated for in vitro PTP1B enzyme inhibition, in vitro cellular glucose uptake assay, and animal models of hyperglycemia. ZINC02765569 shows promising inhibition of PTP1B enzyme at 10 μm assay, positively up-regulate the cellular glucose uptake in skeletal cell muscle myotubes and SLM/STZ hyperglycemic animal experiments. The novel hit reported here should provide a platform for the further development of its analogs as potential PTP1B enzyme inhibitors.

Original language	English
Pages (from-to)	28-34
Number of pages	7
Journal	Medicinal Chemistry Research
Volume	22
Issue number	1
DOIs	https://doi.org/10.1007/s00044-012-0007-0
Publication status	Published - Jan 2013
Externally published	Yes

Keywords

Diabetes
PTP1B
vHTS
ZINC02765569

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1007/s00044-012-0007-0

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abstract = "The present study describes identification of a novel lead molecule ZINC02765569 for inhibition of protein tyrosine phosphatase 1B (PTP1B) enzyme by a high-throughput virtual screening of Zinc database against catalytic domain of PTP1B employing docking algorithm Glide. The identified hit molecule ZINC02765569 was synthesized and evaluated for in vitro PTP1B enzyme inhibition, in vitro cellular glucose uptake assay, and animal models of hyperglycemia. ZINC02765569 shows promising inhibition of PTP1B enzyme at 10 μm assay, positively up-regulate the cellular glucose uptake in skeletal cell muscle myotubes and SLM/STZ hyperglycemic animal experiments. The novel hit reported here should provide a platform for the further development of its analogs as potential PTP1B enzyme inhibitors. ",

keywords = "Diabetes, PTP1B, vHTS, ZINC02765569",

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AU - Joshi, Prashant

AU - Deora, Girdhar Singh

AU - Rathore, Vandana

AU - Tanwar, Omprakash

AU - Rawat, Arun K.

AU - Srivastava, A. K.

AU - Jain, Deepti

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AB - The present study describes identification of a novel lead molecule ZINC02765569 for inhibition of protein tyrosine phosphatase 1B (PTP1B) enzyme by a high-throughput virtual screening of Zinc database against catalytic domain of PTP1B employing docking algorithm Glide. The identified hit molecule ZINC02765569 was synthesized and evaluated for in vitro PTP1B enzyme inhibition, in vitro cellular glucose uptake assay, and animal models of hyperglycemia. ZINC02765569 shows promising inhibition of PTP1B enzyme at 10 μm assay, positively up-regulate the cellular glucose uptake in skeletal cell muscle myotubes and SLM/STZ hyperglycemic animal experiments. The novel hit reported here should provide a platform for the further development of its analogs as potential PTP1B enzyme inhibitors.

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KW - PTP1B

KW - vHTS

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Identification of ZINC02765569: a potent inhibitor of PTP1B by vHTS

Abstract

Keywords

UN SDGs

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