治疗癌症的碱性螺旋环螺旋（bHLH）转录因子抑制剂：基于计算模拟药物设计的特色概述

Title:bHLH Transcription Factors Inhibitors for Cancer Therapy: General Features for In Silico Drug Design

Volume: 21 Issue: 28

Author(s): I.F. Tsigelny, V.L. Kouznetsova, S.C. Pingle and S. Kesari

Affiliation:

关键词: 上游碱性螺旋-环-螺旋，癌症，计算药物设计，药物-DNA相互作用，药物-蛋白质相互作用，抑制剂，计算机模拟，蛋白二聚体，转录因子。

摘要: Numerous basic-helix-loop-helix (bHLH) transcription factors (TF) have been found to play important roles in tumor growth and progression. Elucidation of the common features of these TFs can pave the road to possible therapeutic intervention. The existing studies of possible inhibition of these TFs are concentrated on the development of peptides or small molecules that inhibit their dimerization or prevent their DNA binding. The bHLH TFs have striking similarity in many functionally important regions, such as the helical regions of TFs that interact with each other during dimerization and have complementary sets of residues on both sides of a dimer. These are hydrophobic residues along with anionic and cationic residues with complementary charges. Such complementarity also exists in other contact regions of the bHLH TFs. They also have a very specific set of positively charged residues on the surface, which would contact DNA. Such specificity defines a common concept for an in silico design of bHLH TFs inhibitors for a number of existing and important cancer-related TFs.

Cite this article as:

Tsigelny I.F., Kouznetsova V.L., Pingle S.C. and Kesari S., bHLH Transcription Factors Inhibitors for Cancer Therapy: General Features for In Silico Drug Design, Current Medicinal Chemistry 2014; 21 (28) . https://dx.doi.org/10.2174/0929867321666140414111333