Network pharmacology based mapping of potential pharmacological mechanism of metabolic profiles of Tagetes erecta L. against oxidative and inflammatory stress including associated complication

Abstract

Tagetes erecta L. is a traditional Indian medicinal plant that has been grown for its various commercial and decorative purpose including immense medicinal properties. Traditionally, it is used as an antioxidant, antidiabetic, neuroprotective, diuretic, etc. Due to the lack of scientific evidence based on molecular mechanism of T. erecta involved in the alleviation of oxidative stress-induced inflammation and associated complication, thus generating the multitargeted therapeutic evidence using various approaches. Network pharmacology and gene ontology analysis were performed to explore its multimechanistic and therapeutic action in oxidative and inflammatory stress-induced several pathophysiological morbidities. In silico docking analyses were performed for further validation of screened phytoconstituents to investigate the biological interaction with NOX antioxidant enzyme. Swiss ADME analysis was performed to investigate the pharmacokinetic behaviour of screened metabolites. Our results of network pharmacology showed the multi-mechanistic and therapeutic role of Tagetes metabolites against pathophysiological pathways such as oxidative stress, inflammation, chronic kidney disease, brain disorder, leukopenia, etc., and thus providing Tagetes as a potential herbal drug for alleviating several acute and chronic disease. Swiss ADME analysis revealed significant distribution and skin permeability with log Kp value of eucalyptol (-5.3), limonene (-3.89), linalool (- 5.13), methyl eugenol (-5.6) and alpha pinene (-3.95). Hence, it can be concluded that Tagetes contains several metabolites that potentially exhibited positive biological regulation against several morbidities via reducing oxidative and inflammatory stress.