辽宁大学学报（自然科学版）2025，Vol.52Issue(2)：145-151,7.
基于计算机辅助药物设计的多靶点核糖体小分子抑制剂的筛选
Research Screening of Multi-Target Ribosome Inhibitors Based on Computer Aided Drug Design
摘要
Abstract
Traditional drug development strategies based on a single target have the shortcomings of high incidence rates of drug adverse reactions and bacterial resistance,which limits their extensive and long-term use in clinical settings.Multi-target drugs have the potential advantage of minimal toxic and side effects,and low potential for inducing bacterial resistance by affecting multiple disease pathways through action on different drug targets.This article,based on computer-aided drug design technology and the research approach of"re-purposing old drugs,"has conducted virtual screening of the marketed antibacterial drug molecule library targeting bacterial ribosomes and in vitro verification of bacterial ribosome inhibitory activity.A series of dual-target bacterial ribosome inhibitors were obtained.Among them,the cephalosporin drug Cefotiam showed antibacterial activity that could reduce the probability of bacterial-induced resistance.The results of this study provide effective information and feasible ideas for the subsequent development of antimicrobial candidate molecules with new mechanisms of action and the ability to reduce the probability of bacterial-induced resistance.关键词
核糖体/青霉素结合蛋白(PBPs)/多靶点/计算机辅助药物设计/虚拟筛选/头孢菌素Key words
ribosome/penicillin-binding proteins(PBPs)/multi-target/computer aided drug design/virtual screening/cephalosporins分类
医药卫生引用本文复制引用
桑梓苔,李梓萌,贾婉慧,杨鸽..基于计算机辅助药物设计的多靶点核糖体小分子抑制剂的筛选[J].辽宁大学学报（自然科学版）,2025,52(2):145-151,7.基金项目
河南省高等学校大学生创新训练计划项目(202410482021) （202410482021）
河南省高等学校重点科研项目(25A360029) （25A360029）
