IN-SILICO EVALUATION OF PHYTOCHEMICALS FROM CHRYSOPHYLLUM ALBIDUM FOR DIABETIC WOUND HEALING: TARGETING THE VEGFR-MEDIATED SIGNALING PATHWAY

Student: Waliyat Olaide Sanni
Supervisor: Mrs L M Olawunmi
HOD: Dr A O Lamiji
Department of Chemical Sciences
College of Natural and Applied Sciences (CONAS)
Crescent University, Abeokuta, Ogun State

Abstract

Diabetic wounds remain a major global health concern due to impaired angiogenesis, oxidative stress, and poor vascular response. This study investigated the wound-healing potential of Chrysophyllum albidum phytochemicals through in-silico interaction with vascular endothelial growth factor receptor 2 (VEGFR-2), a key mediator of angiogenesis. Qualitative and quantitative phytochemical screening revealed the presence of phenols, alkaloids, saponins, and terpenoids, with phenolic content highest in Sample C (60.1%). Antioxidant assays demonstrated strong free radical scavenging activity, with DPPH and nitric oxide inhibition exceeding 90% in some samples. Molecular docking of fifty-nine GC-MS identified compounds showed that several phytochemicals, notably 7a,9c-(Iminoethano) phenanthro [4,5-bcd] furan, exhibited higher binding affinity to VEGFR-2 than the standard drug pioglitazone (−6.8 vs. −6.1 kcal/mol). ADMET predictions confirmed favorable pharmacokinetic properties, low toxicity, and oral bioavailability, while MM-GBSA analysis indicated thermodynamically stable ligand-receptor complexes. These findings suggest that C. albidum possesses potent bioactive compounds capable of modulating VEGFR-2 signaling and promoting angiogenesis in diabetic wound environments. The study provides a scientific basis for the ethnomedicinal use of C. albidum and recommends further in-vitro and in-vivo validation toward developing novel plant-based wound therapies. Keywords: Chrysophyllum albidum, Diabetic wound, VEGFR-2, Molecular docking, Antioxidant activity, MM-GBSA

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