Integrated pharmacognostic, phytochemical, and in silico investigation of kaempferol isolated from the stem bark of Bauhinia variegata L
摘要
This study presents an integrated pharmacognostic and phytochemical investigation of Bauhinia variegata L. (Kanchanara) stem bark, coupled with an extensive in silico exploration of its bioactive isolated compound, Kaempferol, to validate its multi-target therapeutic potential. Comprehensive pharmacognostic standardization was established through macro- and microscopic evaluation and histochemical profiling, identifying diagnostic markers such as lignified, gelatinous fibres, biseriate medullary rays, and prismatic calcium oxalate crystals. Kaempferol was isolated from the bark, and its structure was rigorously confirmed via 1H and 13C NMR spectroscopy. Computational molecular docking against eight high-value protein targets revealed that Kaempferol demonstrates significant multi-target binding affinity, often surpassing conventional synthetic drugs. Notably, Kaempferol exhibited a superior docking score against Nrf2 (− 9.8 kcal/mol) compared to Bardoxolone methyl, and showed higher potency than Dapsone for leprosy and Albendazole for helminthiasis. Furthermore, Kaempferol passed Lipinski’s rule of five with zero violations and demonstrated favorable toxicity and bioavailability profiles. These findings provide molecular-level support for the traditional use of B. variegata and highlight kaempferol as a potential multi-target therapeutic candidate.