Literature DB >> 16806920

Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48.

Zhao-Kui Wan1, Jinbo Lee, Weixin Xu, David V Erbe, Diane Joseph-McCarthy, Bruce C Follows, Yan-Ling Zhang.   

Abstract

A series of monocyclic thiophenes was designed and synthesized as PTP1B inhibitors. Guided by X-ray co-crystal structural information and computational modeling, rational design led to key interactions with Asp48 and improved inhibitory potency against PTP1B.

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Year:  2006        PMID： 16806920     DOI： 10.1016/j.bmcl.2006.06.051

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN： 0960-894X            Impact factor:   2.823


  9 in total

1.  Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling.

Authors:  Daniel Cappel; Steven L Dixon; Woody Sherman; Jianxin Duan
Journal:  J Comput Aided Mol Des       Date:  2014-11-19       Impact factor: 3.686

Review 2.  Phosphotyrosine isosteres: past, present and future.

Authors:  Robert A Cerulli; Joshua A Kritzer
Journal:  Org Biomol Chem       Date:  2019-11-28       Impact factor: 3.876

3.  Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approach.

Authors:  Dan Zhao; Lu Sun; Shijun Zhong
Journal:  Mol Divers       Date:  2021-10-16       Impact factor: 3.364

4.  Knowledge-based characterization of similarity relationships in the human protein-tyrosine phosphatase family for rational inhibitor design.

Authors:  Dusica Vidović; Stephan C Schürer
Journal:  J Med Chem       Date:  2009-11-12       Impact factor: 7.446

5.  Investigation of catalytic loop structure, dynamics, and function relationship of Yersinia protein tyrosine phosphatase by temperature-jump relaxation spectroscopy and X-ray structural determination.

Authors:  Shan Ke; Meng-Chiao Ho; Nickolay Zhadin; Hua Deng; Robert Callender
Journal:  J Phys Chem B       Date:  2012-05-22       Impact factor: 2.991

6.  Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT.

Authors:  Joshy P Yesudas; Fareed Bhasha Sayyed; Cherumuttathu H Suresh
Journal:  J Mol Model       Date:  2010-05-19       Impact factor: 1.810

7.  Novel heteroaryl phosphonicdiamides PTPs inhibitors as anti-hyperglycemic agents.

Authors:  Kuruva Chandra Sekhar; Rasheed Syed; Madhava Golla; Jyothi Kumar M V; Nanda Kumar Yellapu; Appa Rao Chippada; Naga Raju Chamarthi
Journal:  Daru       Date:  2014-12-27       Impact factor: 3.117

Review 8.  Computational Methods in Cooperation with Experimental Approaches to Design Protein Tyrosine Phosphatase 1B Inhibitors in Type 2 Diabetes Drug Design: A Review of the Achievements of This Century.

Authors:  Mara Ibeth Campos-Almazán; Alicia Hernández-Campos; Rafael Castillo; Erick Sierra-Campos; Mónica Valdez-Solana; Claudia Avitia-Domínguez; Alfredo Téllez-Valencia
Journal:  Pharmaceuticals (Basel)       Date:  2022-07-14

9.  QSAR Study on a Series of Protein Tyrosine Phosphatase 1B Inhibitors.

Authors:  Rajendra S Mehta; Hetal R Prajapati; Dinesh V Thakkar; Pathik S Brahmkshatriya
Journal:  Int J Biomed Sci       Date:  2008-12
  9 in total

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