Elucidation of chemical profiles and molecular targets of Mondia whitei leave fractions bioactive as novel therapeutics: an in vitro and in silico assay

Abstract

Background Mondia whitei root is often used in Africa as a local therapeutic agent for libido enhancement. The fractions of the M. whitei leaves (MWL) lack chemical characterization of their bioactive components and possible molecular targets. We characterized and investigated its molecular target as therapeutic agents in an in vitro and in silico assay. Mineral compositions, antioxidant, and GC-MS characterization were studied. The cytotoxicity effect was measured on HeLa and HT-29 cells by MTT assay. In silico potential inhibitors of Cathepsin B (CathB) as a cancer biomarker were determined. Results The flame photometry produced marked Na+ and K+. GC-MS revealed eighteen bioactive components. The fractions (chloroformic 47.00, ethanolic 45.52, and aqueous 40.13) of MWL caused a higher inhibition ratio compared to standards. The MWL showed a significant cytotoxic effect on the treated cell lines at concentrations of 150 and 200 μg/ml and 100, 150, and 200 μg/ml for HT-29 and HeLa cells, respectively. Ten bioactives (MWL 4, 5, 6, 8, 9, 10, 14, 15, 17, and 18) showed potential inhibition of CathB with binding affinities of −4.40 to −8.3 Kcal/Mol. However, MWL 4, 9, 14, and 17 which have higher binding affinities (−6.7, −7.1, −8.2, and −8.3, respectively) than the standard inhibitor (−6.5) were the lead molecules. Conclusion These chemical profiles and potential molecular targets unraveled in this study propose that MWL has a promising anticancer activity. Graphical Abstract

Evaluation of the Antibacterial Activity of Lemon Fruit Juice, Mondia Whitei Ethanolic Extract, and Their Combination Against Streptococcus Mutans

“…This was consistent with results from studies conducted by [17][18][19] which reported the presence of alkaloids, avonoids, terpenoids, and glycosides in lemon extracts but negative for tannins. Furthermore, [20][21][22] identi ed all the phytochemicals detected in the MCERBE by this study in addition to other phytochemical. The observed differences in the phytochemicals may be attributed to differences in environmental conditions in the different geographical regions.…”

Antiproliferative Potential of Ethanol Leaf Extract of Motandra guineensis (Thonn.) A.DC. (Apocynaceae) against Human Melanoma and Ovarian Cancer Cells

“…which have been reported to be cytotoxic to brine shrimp, human colorectal adenocarcinoma (HT-29) and cervical cancer (HeLa) cell lines and human epidermoid larynx carcinoma cancer (Hep 2) respectively support the antiproliferative activity being observed in M. guineensis . 17,18,19 Toxicity assay of Motandra guineensis extract and fractions Table 2 shows the results of toxicity testing on green monkey Vero cells as a measure of safety. Crude ethanol extract and fractions were less toxic in Vero cells than the standard drug, Tamoxifen.…”

Fluoxetine attenuates stress-induced depression-like behavior due to decrease in pro-inflammatory cytokines in male rats

“…12,13 Oxidative stress is an imbalance between the cellular production of ROS and the counteracting antioxidant mechanisms, which leads to the damage of cellular macromolecules. 14 The ROS generated in oxidative stress following alcohol intake include abnormal malondialdehyde (MDA), 8-F2-isoprostane (8-iso-PGF2α) levels, protein carbonyl (PC), 8-hydroxy-2-deoxyguanosine (8-OHdG) and 8-oxo-7, 8-dihydroguanosine (8-oxoGuo). 15,16 Oxidative stress activates the immune-inflammatory pathways where pro-inflammatory cytokines are released.…”