Objectives This study investigated the Catharanthus roseus phytochemicals by chromatography-mass spectrometry (GC-MS), and in vitro effects on diabetic wound healing based bioassays, molecular docking, and dynamics. Methods Fresh C. roseus leaves were extracted using methanol and subjected to preliminary phytochemical screening and GC-MS analysis. The extract was evaluated for antioxidant, anti-inflammatory, antidiabetic, and antimicrobial activities using in vitro assays. Molecular docking and dynamics simulations were performed to analyse interactions of key bioactive compounds with microbial virulence proteins and wound-healing targets. Results Phytochemical screening revealed the presence of flavonoids, alkaloids, tannins, saponins, phenols, steroids, carbohydrates, and glycosides. GC-MS identified 63 bioactive compounds, including D-sorbitol, myo-inositol, and palmitic acid etc The extract showed potent antioxidant activity comparable to Vitamin C and significant anti-inflammatory effects via protein denaturation inhibition (89 ± 5.4%, similar to Diclofenac at 91 ± 6.1%). It also inhibited α-amylase and α-glucosidase (69 ± 3.9% and 75 ± 5.4%) respectively, confirming antidiabetic potential. Antimicrobial assays revealed strong inhibition of Streptococcus mutans (MIC: 0.312 mg/mL) and Enterococcus faecalis (0.62 mg/mL). Molecular docking and dynamics revealed that vincristine and vinblastine bind strongly to both microbial virulence proteins and wound-healing targets (VEGF, NF-κB, IL-10), suggesting dual antimicrobial and pro-healing potential. Vincristine showed the highest affinity (–8.9 kcal/mol), indicating stronger therapeutic relevance in diabetic wound repair. Conclusion These findings highlight C. roseus bioactive compounds as a promising therapeutic candidate for diabetic wound healing via antioxidant, anti-inflammatory, antidiabetic and antimicrobial activities.
Alshuniaber et al. (Wed,) studied this question.