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Molecular docking was accomplished using AutoDock Vina, and protein-ligand interactions were analyzed. Additionally, compounds were validated based on &lt;i&gt;in silico&lt;\/i&gt; ADMET properties to select the most promising candidates. A comprehensive screening and docking procedure identified several potential G6PD inhibitors. These compounds showed favorable interactions with the active site and met the criteria for optimal ADMET properties. The newly proposed G6PD inhibitors, with their potential to revolutionize cancer therapy, could serve as lead molecules for further research and development, inspiring the audience about the possibilities in cancer therapy.\n<\/p>","DOI":"10.1615\/critrevoncog.2024056445","type":"journal-article","created":{"date-parts":[[2024,11,7]],"date-time":"2024-11-07T15:33:42Z","timestamp":1730993622000},"page":"59-70","source":"Crossref","is-referenced-by-count":0,"title":["Identification of Glucose-6-Phosphate Dehydrogenase (G6PD) Inhibitors by Cheminformatics Approach"],"prefix":"10.1615","volume":"30","author":[{"given":"Srilatha","family":"Mundla","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Madhu Sudhana","family":"Saddala","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"613","reference":[{"key":"2","doi-asserted-by":"crossref","unstructured":"TeSlaa T, Ralser M, Fan J, Rabinowitz JD. 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