中国医院用药评价与分析2023，Vol.23Issue(12)：1439-1445,7.DOI:10.14009/j.issn.1672-2124.2023.12.006
从细胞焦亡角度挖掘治疗湿热蕴结型盆腔炎性疾病后遗症的天然药物成分
Exploration of Natural Pharmaceutical Components for Sequelae of Pelvic Inflammatory Disease of Damp-Heat Accumulation Type from the Perspective of Pyroptosis
摘要
Abstract
OBJECTIVE:To explore the natural pharmaceutical components for the treatment of sequelae of pelvic inflammatory disease(SPID)of damp-heat accumulation type from the perspective of cell pyroptosis through bioinformatics and molecular docking technology,so as to probe into new ideas for the treatment of SPID of damp-heat accumulation type and research and development of new drugs.METHODS:Data related to SPID that met the screening conditions was retrieved through GEO database,and differential expression targets of SPID were obtained by limma differential analysis after summarization.Through the GeneCards platform,the main and secondary symptoms of SPID of damp-heat accumulation type were searched as keywords,and the targets of damp-heat accumulation type were obtained.CNKI,Wanfang Data and PubMed were used to find targets related to cell pyroptosis.The three were combined and intersected to obtain targets for SPID of damp-heat accumulation type associated with cell pyroptosis.CMap platform was used to calculate and analyze the obtained targets to obtain natural drug small molecules,and the natural drugs derived from natural drug small molecules were found through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,and finally the molecular docking verification was carried out.RESULTS:GSE165004 dataset was screened out from GEO database,and 3 073 targets were obtained after limma differential analysis.A total of 33 targets related to pyroptosis were collected.Four targets were obtained by combining and intersecting the cell pyroptosis and differential expression targets for SPID of damp-heat accumulation type,namely interleukin 18(IL-18),CASP9,CASP5 and NLRP3.Results of CMap database showed that small molecule compounds of natural medicines such as Camptothecin,berberine,ellipticine,Acacetin and Apigenin had high negative correlation and could form good molecular docking with the targets obtained by analysis.CONCLUSIONS:Through the results of bioinformatics and molecular docking,Acacetin and Apigenin may become the key small molecules of natural medicines for the treatment of SPID of damp-heat accumulation type,which opens up a new direction for the research of SPID medicines and provides some reference for the research and development of new drugs.关键词
盆腔炎性疾病后遗症/细胞焦亡/湿热蕴结型/天然药物成分/生物信息学Key words
Sequelae of pelvic inflammatory disease/Pyroptosis/Damp-heat accumulation type/Natural phar-maceutical components/Bioinformatics分类
医药卫生引用本文复制引用
龙茜,林洁..从细胞焦亡角度挖掘治疗湿热蕴结型盆腔炎性疾病后遗症的天然药物成分[J].中国医院用药评价与分析,2023,23(12):1439-1445,7.基金项目
湖南省卫健委课题项目(No.202205014138) （No.202205014138）
