Citrullus lanatus natural product library: A hoard of viable potential inhibitor candidates for diabetes mellitus type II therapeutic target enzymes

Abstract

The ethnomedicinal function of several cucurbit species (cucumber, squash, melon, gourd, etc.) on diseases (i.e. diabetes, microbial infections, cancer, etc.), and as free radical scavengers have been reported. However, there remains infinitesimal record on citron watermelon broad use, which reflects the reason for wide oversight of underutilization, from lack of recognition for functional food crop development and commercialization. The objective of this study focus towards identifying the natural phytochemicals of C. lanatus on water melon molecules online database for insilico computational approach to screened for suitable antidiabetic lead, and construction of phylogenetic relatedness of target Type 2 Diabetes Mellitus proteins was conducted to predict reoccurrence of insilico analysis output with other homologous target proteins. The T2DM protein targets, phytochemical and standard inhibitory drugs are mined from different databases. Insilico docking analysis, and adme/toxicity profiling was virtually screened for the best fit. In additionally, phylogenetic relationship of the target proteins was aligned and construction with other homologous protein targets to predict the reoccurrence confidence of results on compounds. Seventeen phytochemicals out of the nineteen potential drug candidates substantially passed the profiling test. Also, homologous protein targets with > 90% bootstrap confidence are likely to produce a reoccurring insilico result. Thus, these phytochemicals fulfil all the enlisted criteria and it is suggestively determined to be suitable for the development of potent antidiabetic drugs. It is evident that phytochemicals from Citrullus lanatus produced satisfactory insilico output, and this reflect it to be a probable reservoir containing other potential therapeutic drug candidates for antidiabetic drug discovery and development. Additionally, derivatives can be developed for further effective screening result.