{"title":"In silico Exploration of the Therapeutic Potential of Alkaloids as Anti-infective Agents","authors":"Nidhi Rani, Randhir Singh, Praveen Kumar, Aditiya Walia","doi":"10.2174/0115701808276535231212071700","DOIUrl":null,"url":null,"abstract":"Background: Alkaloids are important phytoconstituents obtained from various plant sources. Methods: The main objective of the study was to evaluate the anti-infective potential of alkaloids against 14α-demethylase, transpeptidase, and omicron spike protein using molecular docking studies. The potential constituents were identified and an ADMET study was performed. Results: The study concluded that reserpine and tubocurarine exhibited potential activity against the three tested enzymes with good ADMET profile. Conclusion: Reserpine and tubocurarine can further be explored to attain new candidates as antiinfective agents.","PeriodicalId":18059,"journal":{"name":"Letters in Drug Design & Discovery","volume":"15 1","pages":""},"PeriodicalIF":1.6000,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Letters in Drug Design & Discovery","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2174/0115701808276535231212071700","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
引用次数: 0
Abstract
Background: Alkaloids are important phytoconstituents obtained from various plant sources. Methods: The main objective of the study was to evaluate the anti-infective potential of alkaloids against 14α-demethylase, transpeptidase, and omicron spike protein using molecular docking studies. The potential constituents were identified and an ADMET study was performed. Results: The study concluded that reserpine and tubocurarine exhibited potential activity against the three tested enzymes with good ADMET profile. Conclusion: Reserpine and tubocurarine can further be explored to attain new candidates as antiinfective agents.
期刊介绍：
Aims & Scope
Letters in Drug Design & Discovery publishes letters, mini-reviews, highlights and guest edited thematic issues in all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The emphasis is on publishing quality papers very rapidly by taking full advantage of latest Internet technology for both submission and review of manuscripts. The online journal is an essential reading to all pharmaceutical scientists involved in research in drug design and discovery.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
