数字农科院2.0

Molecular docking technology drives multidimensional applications of microbial natural products

文献类型： 外文期刊

作者： Chan Zhang;Qing Sun;Arzugul Ablimit;Huijun Dong;Fei Pan;Haijiao Wang;Congcong Wang;Wenli Tian;Chengtao Wang

作者机构：

关键词： Applications;Biological activity;Microbial natural products;Molecular docking;Targets

期刊名称： Journal of Molecular Structure

ISSN： 0022-2860

年卷期： 2025 年 1335 卷

页码：

收录情况： SCIE（2025版） ; ; EI（2025版）

摘要： In recent years, the fields of drug discovery and biological research have faced enormous challenges. On the one hand, the pharmaceutical industry is challenged by long lead times and low success rates in the development of new drugs; on the other hand, there is a growing demand for efficient and safe drugs of natural origin due to drug abuse and an ageing global population. Following the discovery and clinical application of penicillin, microbial-based natural products have become an important source of new compounds and drugs, opening up new ideas and avenues for the search for new drugs. However, the traditional isolation and identification of microbial natural products are time-consuming and difficult. In recent years, with the development of bioinformatics, genome sequencing and metabolomics have been used to isolate and identify microbial natural products. Molecular docking (a technique to predict the binding mode of small molecules to proteins) has also become an important tool. The use of molecular docking to predict the binding mode of small molecule natural products to receptor proteins can guide the design and synthesis of compounds and expand their applications. This paper reviews various areas of application of molecular docking technology to microbial natural products, describes the potential risks and challenges of the technology, and summarizes predictions for its application.

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