PAP Rashidah Sa'adatul Bolkiah Institute of Health Sciences, University Brunei Darussalam, Gadong, Brunei Darussalam.
School of Medical and Lifesciences, Sunway University, Bandar Sunway, Malaysia.
PLoS One. 2023 Sep 1;18(9):e0290948. doi: 10.1371/journal.pone.0290948. eCollection 2023.
There is still unmet medical need in cancer treatment mainly due to drug resistance and adverse drug events. Therefore, the search for better drugs is essential. Computer-aided drug design (CADD) and discovery tools are useful to streamline the lengthy and costly drug development process. Anthraquinones are a group of naturally occurring compounds with unique scaffold that exert various biological properties including anticancer activities. This protocol describes a systematic review that provide insights into the computer-aided drug design and discovery based on anthraquinone scaffold for cancer treatment. It was prepared in accordance with the "Preferred reporting items for systematic review and meta-analysis protocols (PRISMA-P) 2015 guidelines, and published in the "International prospective register of systematic reviews" database (PROSPERO: CRD42023432904). Search strategies will be developed based on the combination of relevant keywords and executed in PubMed, Scopus, Web of Science and MedRxiv. Only original studies that employed CADD as primary tool in virtual screening for the purpose of designing or discovering anti-cancer drugs involving anthraquinone scaffold published in English language will be included. Two independent reviewers will be involved to screen and select the papers, extract the data and assess the risk of bias. Apart from exploring the trends and types of CADD methods used, the target proteins of these compounds in cancer treatment will also be revealed in this review. It is believed that the outcome of this study could be utilized to support the ongoing research in similar area with better quality and greater probability of success, consequently optimizing the resources in subsequent in vitro, in vivo, non-clinical and clinical development. It will also serve as an evidence based scientific guide for new research to design novel anthraquinone-derived drug with improved efficacy and safety profile for cancer treatment.
癌症治疗仍存在未满足的医学需求，主要是由于耐药性和药物不良反应。因此，寻找更好的药物是必要的。计算机辅助药物设计（CADD）和发现工具可用于简化漫长而昂贵的药物开发过程。蒽醌类化合物是一组具有独特结构的天然存在的化合物，具有多种生物活性，包括抗癌活性。本方案描述了一项系统评价，该评价提供了基于蒽醌骨架治疗癌症的计算机辅助药物设计和发现的深入了解。它是根据“系统评价和荟萃分析方案的首选报告项目（PRISMA-P）2015 指南制定的，并发表在“国际前瞻性系统评价注册数据库”（PROSPERO：CRD42023432904）中。搜索策略将根据相关关键字的组合制定，并在 PubMed、Scopus、Web of Science 和 MedRxiv 中执行。只有使用 CADD 作为虚拟筛选的主要工具，目的是设计或发现涉及蒽醌骨架的抗癌药物的原创研究，且以英文发表，才会被包括在内。两名独立的评审员将参与筛选和选择论文、提取数据和评估偏倚风险。除了探索用于癌症治疗的 CADD 方法的趋势和类型外，本综述还将揭示这些化合物的靶蛋白。我们相信，这项研究的结果可以用于支持类似领域的正在进行的研究，以提高质量和成功的可能性，从而优化后续的体外、体内、非临床和临床开发资源。它还将为设计具有改善的疗效和安全性的新型蒽醌衍生药物的新研究提供循证科学指导。
