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dbAMP 3.0:大流行后时代抗菌肽活性和结构注释的更新资源。

dbAMP 3.0: updated resource of antimicrobial activity and structural annotation of peptides in the post-pandemic era.

作者信息

Yao Lantian, Guan Jiahui, Xie Peilin, Chung Chia-Ru, Zhao Zhihao, Dong Danhong, Guo Yilin, Zhang Wenyang, Deng Junyang, Pang Yuxuan, Liu Yulan, Peng Yunlu, Horng Jorng-Tzong, Chiang Ying-Chih, Lee Tzong-Yi

机构信息

Kobilka Institute of Innovative Drug Discovery, School of Medicine, The Chinese University of Hong Kong, Shenzhen, 2001 Longxiang Road, 518172, Shenzhen, China.

School of Science and Engineering, The Chinese University of Hong Kong, Shenzhen, 2001 Longxiang Road, 518172, Shenzhen, China.

出版信息

Nucleic Acids Res. 2025 Jan 6;53(D1):D364-D376. doi: 10.1093/nar/gkae1019.

Abstract

Antimicrobial resistance is one of the most urgent global health threats, especially in the post-pandemic era. Antimicrobial peptides (AMPs) offer a promising alternative to traditional antibiotics, driving growing interest in recent years. dbAMP is a comprehensive database offering extensive annotations on AMPs, including sequence information, functional activity data, physicochemical properties and structural annotations. In this update, dbAMP has curated data from over 5200 publications, encompassing 33,065 AMPs and 2453 antimicrobial proteins from 3534 organisms. Additionally, dbAMP utilizes ESMFold to determine the three-dimensional structures of AMPs, providing over 30,000 structural annotations that facilitate structure-based functional insights for clinical drug development. Furthermore, dbAMP employs molecular docking techniques, providing over 100 docked complexes that contribute useful insights into the potential mechanisms of AMPs. The toxicity and stability of AMPs are critical factors in assessing their potential as clinical drugs. The updated dbAMP introduced an efficient tool for evaluating the hemolytic toxicity and half-life of AMPs, alongside an AMP optimization platform for designing AMPs with high antimicrobial activity, reduced toxicity and increased stability. The updated dbAMP is freely accessible at https://awi.cuhk.edu.cn/dbAMP/. Overall, dbAMP represents a comprehensive and essential resource for AMP analysis and design, poised to advance antimicrobial strategies in the post-pandemic era.

摘要

抗菌耐药性是全球最紧迫的健康威胁之一,尤其是在疫情后时代。抗菌肽(AMPs)为传统抗生素提供了一种有前景的替代方案,近年来引发了越来越多的关注。dbAMP是一个全面的数据库,提供了关于抗菌肽的广泛注释,包括序列信息、功能活性数据、物理化学性质和结构注释。在本次更新中,dbAMP整理了来自5200多篇出版物的数据,涵盖了来自3534种生物的33065种抗菌肽和2453种抗菌蛋白。此外,dbAMP利用ESMFold来确定抗菌肽的三维结构,提供了30000多个结构注释,有助于基于结构的功能洞察,以推动临床药物开发。此外,dbAMP采用分子对接技术,提供了100多个对接复合物,有助于深入了解抗菌肽的潜在作用机制。抗菌肽的毒性和稳定性是评估其作为临床药物潜力的关键因素。更新后的dbAMP引入了一种评估抗菌肽溶血毒性和半衰期的有效工具,以及一个用于设计具有高抗菌活性、低毒性和高稳定性抗菌肽的优化平台。更新后的dbAMP可在https://awi.cuhk.edu.cn/dbAMP/免费访问。总体而言,dbAMP是抗菌肽分析和设计的全面且重要的资源,有望在后疫情时代推进抗菌策略。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e9b8/11701527/eeb32bd71f12/gkae1019figgra1.jpg

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