QSAR Studies of PTP1B Inhibitors: 1, 2-Naphthoquinone Derivatives

• Type: Article in International Scientific Journal
• Date: 2012

Authors

Feng Luan (Author) Other; Xuan Xu (Author) Other; Huitao T Liu (Author) Other; Maria Natalia D S Dias Soeiro Cordeiro (Author) FCUP; Xiaoyun Y Zhang (Author) Other

Journal

Title: Letters in Drug Design and Discovery

Vol. 9

Pages: 915-925

ISSN: 1570-1808

Publisher: Bentham Science

Indexing

ISI Web of Knowledge - 1 Citation

Scopus - 1 Citation

Scientific classification

FOS: Medical and Health sciences > Basic medicine

Other information

Authenticus ID: P-002-35N

DOI: 10.2174/157018012804586914

Abstract (EN): Diabetes mellitus, a chronic condition caused by defects in insulin secretion, or action, or both, is a group of metabolic disorders whose complications can contribute significantly to ill health, disability, poor quality of life and premature death. From the three main types of diabetes, Type 2 is by far the most common, accounting for about 90% of cases worldwide. Studies on the role of protein tyrosine phosphatase 1B (PTP1B) have clearly shown that it serves as a key negative regulator of insulin signaling and is involved in the insulin resistance associated with Type 2 diabetes. In the present study, a QSAR modeling work was carried out on a series of 1, 2-naphthoquinone derivatives. The inhibitory activity of such compounds was investigated by two types of QSAR methods: multiple linear regression and non-linear neural networks. This strategy afforded QSAR models with good overall accuracy and predictivity on external data, showing it to be a simple, precise and credible tool to predict and screen 1,2-naphoquinone derivatives with high inhibitory activity.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 11