BIOMX-DB: A web application for the BIOFACQUIM natural product database.

IF 2.8 4区 医学 Q3 CHEMISTRY, MEDICINAL Molecular Informatics Pub Date : 2024-06-05 DOI:10.1002/minf.202400060
Fernando Martínez-Urrutia, José L Medina-Franco
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Abstract

Natural product databases are an integral part of chemoinformatics and computer-aided drug design. Despite their pivotal role, a distinct scarcity of projects in Latin America, particularly in Mexico, provides accessible tools of this nature. Herein, we introduce BIOMX-DB, an open and freely accessible web-based database designed to address this gap. BIOMX-DB enhances the features of the existing Mexican natural product database, BIOFACQUIM, by incorporating advanced search, filtering, and download capabilities. The user-friendly interface of BIOMX-DB aims to provide an intuitive experience for researchers. For seamless access, BIOMX-DB is freely available at www.biomx-db.com.

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BIOMX-DB:BIOFACQUIM 天然产品数据库的网络应用程序。
天然产品数据库是化学信息学和计算机辅助药物设计的组成部分。尽管天然产物数据库具有举足轻重的作用,但在拉丁美洲,尤其是在墨西哥,提供这种性质的可访问工具的项目却非常稀少。在此,我们介绍 BIOMX-DB,这是一个开放、可免费访问的网络数据库,旨在填补这一空白。BIOMX-DB 通过整合高级搜索、过滤和下载功能,增强了现有墨西哥天然产品数据库 BIOFACQUIM 的功能。BIOMX-DB 的用户友好界面旨在为研究人员提供直观的体验。为实现无缝访问,BIOMX-DB 可在 www.biomx-db.com 免费获取。
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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来源期刊
Molecular Informatics
Molecular Informatics CHEMISTRY, MEDICINAL-MATHEMATICAL & COMPUTATIONAL BIOLOGY
CiteScore
7.30
自引率
2.80%
发文量
70
审稿时长
3 months
期刊介绍: Molecular Informatics is a peer-reviewed, international forum for publication of high-quality, interdisciplinary research on all molecular aspects of bio/cheminformatics and computer-assisted molecular design. Molecular Informatics succeeded QSAR & Combinatorial Science in 2010. Molecular Informatics presents methodological innovations that will lead to a deeper understanding of ligand-receptor interactions, macromolecular complexes, molecular networks, design concepts and processes that demonstrate how ideas and design concepts lead to molecules with a desired structure or function, preferably including experimental validation. The journal''s scope includes but is not limited to the fields of drug discovery and chemical biology, protein and nucleic acid engineering and design, the design of nanomolecular structures, strategies for modeling of macromolecular assemblies, molecular networks and systems, pharmaco- and chemogenomics, computer-assisted screening strategies, as well as novel technologies for the de novo design of biologically active molecules. As a unique feature Molecular Informatics publishes so-called "Methods Corner" review-type articles which feature important technological concepts and advances within the scope of the journal.
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Cover Picture: (Mol. Inf. 9/2024) The freedom space - a new set of commercially available molecules for hit discovery. Cover Picture: (Mol. Inf. 8/2024) Chemography-guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst. Sulfotransferase-mediated phase II drug metabolism prediction of substrates and sites using accessibility and reactivity-based algorithms.
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