Bioactive Compound from Mollugo nudicaulis Lam. Promotes Wound Healing Activity: An In Silico and In Vitro Analysis

Author: Siva Shankar Raj and Mani Panagal

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Abstract

Cells are replaced with functional ones during wound healing. Medicinal plants and their active compounds have been used for thousands of years to treat wounds. It has been proven that Chinese and Indian traditional medicines are effective in wound healing. There are many phytocompounds in Mollugo nudicaulis Lam. (M. nudicaulis) and their extracts are possessing antiviral, antibacterial, antiprotozoal, hypoglycemic, anticancer, and wound-healing activities. Therefore, the present study aims to identify and isolate a bioactive compound with wound healing properties. As a first step, ethanolic extract of M. nudicaulis was subjected to chromatographic and spectroscopic analyses in order to determine the bioactive compound. The wound healing activity of isolated compound with targeted proteins (such as PKC βII, TNF-α, IL-1β, PDGFRA, VEGF-A and TGFBR1) was investigated using computational molecular analysis. Furthermore, normal fibroblast cell lines were used to assess cytotoxicity. Based on the results of the TLC, FT-IR, 13C and 1H NMR analyses, the isolated compound was identified as 12-(10-carboxydecanoyloxy)-12-oxododecanoic acid (cmd-1). Cmd-1 binding affinity for wound healing target proteins is comparable to that of nitrofurazone (a drug approved by FDA), and docking scores range from -4.0 to -6.9 kcal/mol. Neither isolated compound nor standard drug displayed undesirable ADME properties. It has been shown that cmd-1 is not cytotoxic to NHDF and HUVEC cells, even at high concentrations of 200 µg/mL. Accordingly, ethanolic extract of M. nudicaulis provides a bioactive compound that may function as a novel wound healing agent and, potentially, lead to the development of novel therapeutic agents. However, in vitro and in vivo experiments will be necessary to confirm the current findings.

Keywords

Mollugo nudicaulis Lam., 12-(10-carboxydecanoyloxy)-12-oxododecanoic acid, Molecular docking, Wound healing

Conclusion

Using chromatographic and spectroscopic methods, ethanolic extract of M. nudicaulis was used to isolate and identify bioactive compound of 12-(10-carboxydecanoyloxy)-12-oxododecanoic acid (cmd-1). In vitro cytotoxicity tests of cmd-1 on NHDF and HUVEC fibroblast cell lines did not show cytotoxicity at highest concentrations of 200 µg/mL. In a computational docking study associated with cmd-1, it was noted that it had good interaction with the wound healing targets of TNFα, TGFBR1 kinase, IL-1β, PKC-βII, VEGF and PDGF with docking scores ranging from -4.0 to -6.9 Kcal/mol. The ADME properties of those compounds were acceptable. In vitro and in silico results indicate that 12-(10-carboxydecanoyloxy)-12-oxododecanoic acid isolated from ethanolic extract of M. nudicaulis may have wound healing properties. Further research on in vitro and in vivo experimental animal models is required before the current funding can be confirmed.

References

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How to cite this article

Siva Shankar Raj and Mani Panagal (2023). Bioactive Compound from Mollugo nudicaulis Lam. Promotes Wound Healing Activity: An In Silico and In Vitro Analysis. Biological Forum – An International Journal, 15(5): 389-398.