Abstract

In the current study, we have examined the potential DPP-IV inhibitory properties of Ricinine and Arecoline, two natural alkaloids that hold significant importance. A comprehensive analysis of the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of the compounds was conducted, followed by a subsequent investigation using molecular docking techniques to study their interactions with the DPP-IV enzyme. In the realm of physicochemical analysis, it is imperative to ascertain that the values associated with various molecules fall within the acceptable range. Ensuring that these parameters are within the acceptable range is crucial for accurate characterization and evaluation of the molecules Both of the compounds under investigation have been found to meet the GSK rule, which is a set of criteria used to assess the likelihood of a compound being orally bioavailable. Additionally, these compounds exhibit a more favourable ADMET profile, referring to their absorption, distribution, metabolism, excretion, and toxicity characteristics. The toxicity profile of the suggested molecules exhibited favourable properties, with a significant number of values falling within the acceptable range. Based on the findings obtained from molecular docking studies, it was observed that both compounds exhibited the formation of conventional hydrogen bonds with the DPP-IV enzyme. This observation suggests that these compounds possess the potential for inhibiting the enzyme's activity. By employing the strategy of synthesising diverse semisynthetic derivatives, it is plausible to enhance the efficacy of DPP-IV inhibitors. Based on the observation that both of these molecules exhibit a range of drug-likeness properties, it is reasonable to consider their potential for further development.

Description