Abstract
Abstract Rhazya stricta is a unique medicinal plant source for many indole alkaloids, non- alkaloids, flavonoids, triterpenes and other unknown molecules with tremendous potential for therapeutic applications against many diseases. In the present article, we generated computational data on predictive properties and activity across two key therapeutic areas of cancer and obesity, and corresponding cheminformatics studies were carried out to examine drugable properties of these alkaloids. Computed physiochemical properties of the 78 indole alkaloids from Rhazya stricta plant using industry-standard scientific molecular modeling software and their predictive anti-cancer activities from reliable web-source technologies indicate their plausible therapeutic applications. Their predictive ADME properties are further indicative of their drug-like-ness. We believe that the top-ranked molecules with anti-cancer activity are clearly amenable to chemical modifications for creating potent, safe and efficacious compounds with the feasibility of generating new chemical entities (NCEs) after pre-clinical and clinical studies. Keywords: Rhazya stricta, Alkaloids, Physiochemical properties, Druggability, Anticancer molecules, Anti-obesity molecules. Citation Format: Jamal S. Sabir, Abdullah Obaid Y. Obaid, Sreedhara Voleti, Roop S. Bora, Nahid H. Hajrah, Abdulkader M. Omar, Kulvinder S. Saini. Cheminformatics studies to analyze the therapeutic potential of alkaloids from Rhazya stricta [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2017; 2017 Apr 1-5; Washington, DC. Philadelphia (PA): AACR; Cancer Res 2017;77(13 Suppl):Abstract nr LB-064. doi:10.1158/1538-7445.AM2017-LB-064
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