Biology Medicine & Natural Product Chemistry
Integrated In Vivo and In Silico Evaluation of Centella asiatica Transfersomes and Rosmarinus officinalis Nanoemulsions on VEGF Expression During Caesarean Wound Healing in Rats
By Amena Aldubai, Ramzy Alothmany, Husnul Khotimah and 2 others.
Abstract
Caesarean section wound healing requires coordinated angiogenesis, tissue regeneration, and extracellular matrix remodeling. This study evaluated the effects of a combination of Centella asiatica transfersomes and Rosmarinus officinalis nanoemulsions on vascular endothelial growth factor (VEGF) expression during Caesarean wound healing using integrated in vivo and in silico approaches. Archived formalin-fixed paraffin-embedded (FFPE) wound tissue samples from a previous study involving 25 female Wistar rats (Rattus norvegicus) allocated into five experimental groups were analyzed for VEGF expression using immunohistochemistry on day 14. Molecular docking against VEGFR2 was performed using YASARA Structure, and ADMET properties were predicted using pkCSM.The treatment groups showed improved wound healing and modulation of VEGF expression compared with the controls, with T3 producing the most favorable response. Molecular docking demonstrated that C. asiatica phytochemicals generally exhibited stronger binding affinities toward VEGFR2 than R. officinalis compounds. Kaempferol showed the highest binding affinity (9.7960 kcal/mol), while Asiaticoside formed stable interactions with key VEGFR2 residues. ADMET analysis indicated favorable pharmacokinetic and safety profiles for most compounds.These findings suggest that C. asiatica transfersomes combined with R. officinalis nanoemulsions may accelerate Caesarean wound healing by enhancing VEGF-associated angiogenesis and improving local delivery of bioactive phytochemicals.






