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Cppsite 2.0:一个提供实验验证的细胞穿透肽数据库,预测其二级和三级结构。

Cppsite 2.0: An Available Database of Experimentally Validated Cell-Penetrating Peptides Predicting their Secondary and Tertiary Structures.

机构信息

Department of Hepatitis and AIDS, Pasteur Institute of Iran, Tehran, Iran; Iranian Comprehensive Hemophilia Care Center, Tehran, Iran.

Department of Hepatitis and AIDS, Pasteur Institute of Iran, Tehran, Iran.

出版信息

J Mol Biol. 2021 May 28;433(11):166703. doi: 10.1016/j.jmb.2020.11.002. Epub 2020 Nov 10.

Abstract

One of the biggest barriers in drug and vaccine development is to find an effective delivery system. Cell-penetrating peptides (CPPs) play a crucial role for delivery of biological cargoes and pass them through the membranes. Several databases have been developed for therapeutic peptides as potential drug candidates and delivery vehicles. A rapid growth has occurred in many patents and research articles on CPPs as therapeutic peptides. To save time and cost in laboratories, prediction and design of CPPs before in vitro/in vivo experiments using computational methods and online web servers are rational. Various online web servers which provide prediction of CPPs including CellPPD, CPPpred, CPPred-RF and MLCPP, and also different curated databases that present validated information of CPPs such as CPPsite 2.0 have been developed up to now. Two methods including CellPPD and CPPpred were applied to predict and design potent CPPs. CPPsite 2.0 is a user-friendly updated database that provides various information about CPPs and contains 1855 entries. This database provides comprehensive information on experimentally tested CPPs and prediction of their secondary and tertiary structures to realize their structure-function relationship. Furthermore, each entry presents information of a CPP including chirality, origin, nature of peptide, sub-cellular localization, uptake mechanism and efficiency, amino acid composition, hydrophobicity, and physicochemical properties. One of main goals of CPPsite 2.0 database is to provide the latest datasets of CPPs for analysis and development of CPP prediction methods. CPPsite 2.0 is freely available at https://webs.iiitd.edu.in/raghava/cppsite.

摘要

在药物和疫苗开发中,最大的障碍之一是寻找有效的传递系统。细胞穿透肽 (CPPs) 在传递生物货物并使其穿过细胞膜方面发挥着至关重要的作用。已经开发了几个数据库,用于治疗性肽作为潜在的药物候选物和输送载体。作为治疗性肽的 CPP 已在许多专利和研究文章中得到了快速发展。为了在实验室中节省时间和成本,使用计算方法和在线网络服务器在体外/体内实验之前对 CPP 进行预测和设计是合理的。已经开发了各种在线网络服务器,包括 CellPPD、CPPpred、CPPred-RF 和 MLCPP,以及提供 CPP 验证信息的不同经过整理的数据库,如 CPPsite 2.0。目前已经应用了两种方法,包括 CellPPD 和 CPPpred,用于预测和设计有效的 CPP。CPPsite 2.0 是一个用户友好的更新数据库,提供了关于 CPP 的各种信息,并包含 1855 条记录。该数据库提供了有关经过实验测试的 CPP 的综合信息,并预测了它们的二级和三级结构,以实现其结构-功能关系。此外,每个条目都提供了 CPP 的信息,包括手性、来源、肽的性质、亚细胞定位、摄取机制和效率、氨基酸组成、疏水性和物理化学性质。CPPsite 2.0 数据库的主要目标之一是提供 CPP 的最新数据集,用于分析和开发 CPP 预测方法。CPPsite 2.0 可在 https://webs.iiitd.edu.in/raghava/cppsite 免费获得。

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