CAJ | 학술논문

应用INVDOCK软件进行计算机搜寻药物靶标。研究结果显示该软件具有实际应用潜力及在普及型计算机上可进行运算的可行性。此方法除用于研究药物或先导化合物的未知医疗靶标及毒副作用靶标外，亦可用来研究中草药的作用机理。本研究应用INVDOCK寻找数个中草药有效成分的医疗作用靶标并同已知实验结果进行比较。结果表明INVDOCK可作为探索中草药机理的有效辅助工具。
응용INVDOCK연건진행계산궤수심약물파표。연구결과현시해연건구유실제응용잠력급재보급형계산궤상가진행운산적가행성。차방법제용우연구약물혹선도화합물적미지의료파표급독부작용파표외，역가용래연구중초약적작용궤리。본연구응용INVDOCK심조수개중초약유효성분적의료작용파표병동이지실험결과진행비교。결과표명INVDOCK가작위탐색중초약궤리적유효보조공구。
A new computer method and its application software INVDOCK have been developed as a tool for searching putative protein and nucleic acid targets of a drug.Testing results for a number of therapeutic drugs demonstrated the applicability of INVDOCK,which runs efficiently on commonly used computers.INVDOCK has potential application in probing molecular mechanism of bioactive Chinese natural products(CNP) as well as in facilitating the prediction of unknown therapeutic and side effect and toxicity targets of drugs and drug candidates.In this work,the use of INVDOCK for identification of putative therapeutic and toxicity protein targets of several active CNPs was used and the results with available experimental finding were compared.Our study suggests that INVDOCK may potentially be used as a fast-speed and low-cost tool for facilitating the study of molecular mechanism and pharmacology of bioactive compounds from Chinese medicinal plants and natural products from other sources.