Aim
The objective of this study is to investigate the phytochemicals present in
Butea monosperma
and assess their potential for healing wounds using a computational comparative method.
Materials and methods
The phytochemical substances derived from
B. monosperma
were examined using a phytochemical test, Fourier-transform infrared (FTIR) spectroscopy, and gas chromatography-mass spectroscopy (GCMS). The chemical structures of these substances were investigated
in silico
using computational techniques to predict their wound-healing capacity. The molecular docking tests evaluate the binding strengths of the phytochemicals to specific proteins that play a major role in wound-healing mechanisms. The pharmacokinetic features of the substances were evaluated by analyzing their ADMET (absorption, distribution, metabolism, excretion, and toxicity) profiles.
Results
The computer analysis found several phytochemicals from
B. monosperma
that bind strongly to the proteins for wound healing: compounds such as hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester, 1,3,5-pentanetriol, 3-methyl-, and 2-butyne-1,4-diol. The ADMET analysis indicated favorable pharmacokinetic properties for the majority of the identified compounds, with low predicted toxicity.
Conclusion
Based on the
in silico
analysis, the phytochemicals in
B. monosperma
possess significant potential for use in wound-healing applications. These findings required additional
in vitro
and
in vivo
studies to confirm the effectiveness and safety of these drugs for improving wound healing. This study emphasizes the potential of
B. monosperma
as a source of innovative medicinal substances for wound care.