Virtual structure-based docking, WaterMap, and molecular dynamics guided identification of the potential natural compounds as inhibitors of protein-tyrosine phosphatase 1B-Reference-Cited by-同舟云学术

Virtual structure-based docking, WaterMap, and molecular dynamics guided identification of the potential natural compounds as inhibitors of protein-tyrosine phosphatase 1B

Published:2021-02 Issue: Volume:1226 Page:129396
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

B Manasa,Manandhar Suman,Hari Gangadhar,Priya Keerthi,Kumar B Harish,Pai K. Sreedhara Ranganath^ORCID

Funder

All India Council for Technical Education

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference23 articles.

1. A novel role for protein tyrosine phosphatase 1B as a positive regulator of neuroinflammation;Song;J. Neuroinflammation,2016

2. Pivotal role of protein tyrosine phosphatase 1B (PTP1B) in the macrophage response to pro-inflammatory and anti-inflammatory challenge;Través;Cell Death Dis.,2014

3. PTP1B contributes to the oncogenic properties of colon cancer cells through Src activation;Zhu;Cancer Res.,2007

4. Screening and identification of potential PTP1B allosteric inhibitors using in silico and in vitro approaches;Shinde;PLoS ONE,2018

5. Design, synthesis, in silico and in vitro evaluation of thiophene derivatives: a potent tyrosine phosphatase 1B inhibitor and anticancer activity;Gulipalli;Bioorganic Med. Chem. Lett.,2017

Cited by 13 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Enamino Barbiturates as Antiproliferative and Antimicrobial Agents: Studies on Synthesis, Biological Activities, and Molecular Modeling;ChemistrySelect;2024-05-06

2. Targeting ATP-binding site of WRN Helicase: Identification of novel inhibitors through pocket analysis and Molecular Dynamics-Enhanced virtual screening;Bioorganic & Medicinal Chemistry Letters;2024-05

3. Oxyresveratrol-β-cyclodextrin mitigates streptozotocin-induced Alzheimer's model cognitive impairment, histone deacetylase activity in rats: in silico & in vivo studies;Scientific Reports;2024-04-30

4. Effects of bipolar irreversible electroporation with different pulse durations in a prostate cancer mouse model;Scientific Reports;2024-04-30

5. Synthesis, antiproliferative, antioxidant activities, in silico studies, DFT analysis and molecular dynamics simulation of novel 1-(4-chlorobenzhydryl) piperazine derivatives;Journal of Molecular Structure;2024-02