Qualitative Chemical Evaluation of Chloroform Extract of Azadirachta indica Leaves for Analgesic and Antipyretics Activities: In silico and ADMET Studies

Introduction: The objective of this research is to explore the analgesic and antipyretic potentials of the chloroform extracts of Azadirachta indica leaves using a dual approach of qualitative chemical analysis and in silico studies. Methods: A qualitative chemical analysis was conducted to identify key phytochemicals in the chloroform extract, including quercetin, epicatechin, kaempferol, and rutin. Molecular docking analyses were carried out to find the binding affinities and relations of these phytomolecules with TNF-α, an essential target for pain and fever modulation. ADMET profiling was also conducted to evaluate the pharmacokinetic and toxicity properties of the existing phytomolecules. Results and Discussion: The chemical analysis confirmed the presence of bioactive compounds with known analgesic and antipyretic potential. In silico molecular docking research showed significant binding affinities, particularly for quercetin and rutin, with key residues of TNF-α. ADMET analysis indicated favourable drug-like properties, especially for quercetin and kaempferol. Conclusion: The findings suggest that the chloroform extract of Azadirachta indica holds significant potential for analgesic and antipyretic activities. Further experimental validation and medical research are warranted to authenticate its remedial effectiveness.