Tricyclic Sesquiterpenes From Vetiveria zizanoides (L.) Nash as Antimycobacterial Agents

Abstract

Two bioactive constituents, khusenic acid (1) and khusimol (2), were isolated and characterized from hexane fraction of Vetiveria zizanoides roots. Compounds, 1 and 2, were tested against the various drug-resistant mutants of Mycobacterium smegmatis. The results showed that compound 1 was 4 times more active than the standard drugs ciprofloxacin (CF) and nalidixic acid (NA) against the ciprofloxacin (CSC 101) and lomefloxacin(LOMR5)-resistant mutants, whereas the compound 2 was 2 times more active against the CSC 101 than the NA and CF. Further, these compounds were tested against the virulent strain H37Rv of Mycobacterium tuberculosis, which showed that 1 was two times more active than NA, while 2 was equally active to NA. In in silico docking study, 1 showed better binding affinity than 2 with both subunits of the bacterial DNA gyrase, which was further confirmed from the in vitro bacterial DNA gyrase inhibition study. The in silico ADME analysis of 1 and 2 showed better intestinal absorption, aqueous solubility and ability to penetrate blood-brain barrier. Finally, compound 2 was found safe at the highest dose of 2000 mg/kg body weight. Being edible, fragrant natural products, 1 and 2 will have advantage over the existing synthetic drugs.

Phytochemical Screening, Antioxidant Assay and Cytotoxic Profile for Different Extracts of Chrysopogon zizanioides Roots

“…The phytochemical screening of different extracts of vetiver roots revealed a more significant number of constituents in polar solvents compared to a non‐polar solvent. The cold‐maceration method also extracted a greater number of constituents as the heat‐labile constituents were destroyed at a higher temperature [28] . All three extracts explored for their cytotoxic property in oral and prostate cancer cell lines, whose evaluation revealed a similar inhibition pattern towards prostate cancer cells.…”

Nephroprotective activity ofVetiveria zizanioides(L.) Nash supplement in doxorubicin‐induced nephrotoxicity model of Wistar rats

“…Isokhusenic acid, a compound identified in GC‐MS analysis further substantiates the use of V . zizanioides in food applications in addition to its contribution to nephroprotective activity (Dwivedi et al., 2013). The unique flavor and the reported bioactivities of the plant fortify its use as a novel dietary supplement targeting the management of kidney disease (Mahmoudi et al., 2019).…”

Synergy Potential of Indole Alkaloids and Its Derivative against Drug‐resistant Escherichia coli

“…In silico ADME study was performed as described earlier for compound 1 , 2 , 4 , 5 , 9, and 9F using descriptors for pharmacokinetic properties such as aqueous solubility, human intestinal absorption, plasma protein binding, blood–brain barrier penetration, cytochrome P450 inhibition, and hepatotoxicity . The study was performed using discovery studio v2.5 software (http://www.discoverystudio.com).…”