基于药理的计算研究：TMPRSS6 抑制剂作为血红素调节剂在β-地中海贫血症铁超载中的应用

IF 1.9 4区化学 Q4 CHEMISTRY, PHYSICAL

Molecular Simulation Pub Date : 2024-01-17 DOI:10.1080/08927022.2024.2302022

Piyush Kumar Yadav, Suchitra Singh, Ajay Kumar Singh

引用次数: 0

摘要

TMPRSS6（跨膜丝氨酸蛋白酶 6）在血红蛋白（HJV）的裂解过程中发挥着重要作用，HJV 是一种参与调节血红素代谢的关键蛋白质。TMPRSS6 可在特定位置裂解 HJV。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Pharmacophore-based computational study on inhibitor of TMPRSS6 as hepcidin modulator in an iron overload of beta-thalassaemia

TMPRSS6 (transmembrane protease, serine 6) plays an important role in the cleavage of hemojuvelin (HJV), a key protein involved in the regulation of hepcidin metabolism. TMPRSS6 cleaves HJV at spec...

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来源期刊

Molecular Simulation 化学-物理：原子、分子和化学物理

CiteScore

3.80

自引率

9.50%

发文量

128

审稿时长

3.1 months

期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.