QSPR Analysis of Some Phenolic Compounds Present in Moringa Oleifera

Abstract

QSPR analysis can be used in a variety of applications, such as drug discovery, materials science, and environmental chemistry. For example, QSPR models can be used to predict the toxicity of new chemicals, to design more effective drugs, or to optimize the properties of materials for specific applications. Phenolic compounds act as anti-oxidants, anti-carcinogenic, and anti-bacterial agents present in Moringa oleifera. These Phenolic compounds have significant antioxidant properties as they can scavenge free radicals, slow the aging process, and improve glucose uptake in muscles. They are also used to prevent the accumulation of lipids in the liver and subsequently prevent fatty liver disease, protect kidneys, prevent cancer, prevent whitening skin, chemopreventive for cancer, induce apoptosis in ovarian cancer, protect kidneys, decrease pro-inflammatory enzymes, and increase antioxidants enzymes. Furthermore, phenolic compounds inhibit enzymes linked to diabetes type-2 and they can be used to cure diabetes. Owing to the significance of these phenolic compounds, we carried out QSPR analysis using degree-based indices to know the physical characteristics affiliated with them. The outcomes indicate that these phenolic compounds could be investigated further by pharmacists and chemists when designing drugs using these topological indices values. Since the correlation for the topological indices has been discovered, positively correlated compounds may be considered for the combination of novel drug designs. Also, the computed results are useful to predict the physical properties of the phenolic compounds.

Keywords:

• Topological indices
• chemical compounds
• phenolic compounds
• Moringa oleifera
• thermodynamical properties
• mathematical model
• statistical tests

Disclosure statement

No potential conflict of interest was reported by the author(s).

Authors’ contributions

This work was equally contributed by all writers.

Data availability

The data used to support the work are cited within the text as references.