Antiproliferative potential of moluccella laevis L. aerial parts family lamiaceae (labiatae), supported by phytochemical investigation and molecular docking study

Abstract

The current biologically guided study aimed the in vitro investigation of cytotoxic activity, identification the phytochemical content of Moluccella laevis L. aerial parts and supporting this activity by molecular docking study. Aqueous fraction demonstrated the most potent cytotoxic effect against CACO-2 with IC 50 = 0.067±0.05 μg/mL. Furthermore, EtOAc fraction showed a remarkable cytotoxic activity against MCF-7 cell line with IC 50 = 0.31±0.05 μg/mL. Consequently, total ethanolic extract (TEE) and its fractions were subjected to LC-HR-ESI-MS metabolic profiling to discover the constituents that possibly underlie their cytotoxicity. Twenty compounds were tentatively identified from metabolic analysis. Furthermore, eight compounds were isolated. In silico docking study revealed that stachydrine is more likely to account the antiproliferative activity of both EtOAc and aqueous fractions, probably via its moderate inhibition of receptor tyrosine kinases.

Micromorphological features of stem, root and inflorescence of Moluccella laevis L., Family Lamiaceae (Labiatae)

“…Additionally, 20 compounds were tentatively identified from LC-HR-ESI-MS metabolomic analysis. These compounds revealed that stachydrine is more likely to account for the cytotoxic activity of both the EtOAc and aqueous fractions in silico docking study [5]. Furthermore, 8 compounds: palmitic acid, tricosan-1-ol, pentadecan-1-ol, icosyl acetate, a mixture of sitosterol & stigmasterol, β-sitosterol-7-O-β-D-glucopyranoside and luteolin-7-O--D-glucopyranoside, were isolated and identified spectroscopically [5].…”

“…Moreover, the antibacterial activity of TEE and its various fractions was studied against Gram-positive and Gram-negative bacteria [4]. Furthermore, both of the aqueous and EtOAc fractions of TEE demonstrated the most potent cytotoxic effect against cancer cell lines as CACO-2 and MCF-7, respectively [5]. Additionally, 20 compounds were tentatively identified from LC-HR-ESI-MS metabolomic analysis.…”

Biological potential of Moluccella laevis L. aerial parts, family Lamiaceae (Labiatae)

“…Moreover, the antibacterial activity of TEE and its different fractions was investigated against Gram-positive and Gram-negative bacteria [4]. Additionally, both the aqueous and EtOAc fractions of TEE demonstrated the most potent cytotoxic effect against immortalized cell lines of human colorectal adenocarcinoma (CACO-2) and human breast cancer cell lines (MCF-7), respectively [5]. Moreover, twenty compounds were tentatively identified from LC-HR-ESI-MS metabolomic analysis.…”

“…Moreover, twenty compounds were tentatively identified from LC-HR-ESI-MS metabolomic analysis. In silico docking study for these compounds revealed that stachydrine is more likely to account for the antiproliferative activity of both the EtOAc and aqueous fractions [5]. Furthermore, eight compounds: palmitic acid, tricosan-1-ol, pentadecan-1-ol and icosyl acetate, a mixture of -sitosterol & stigmasterol, β-sitosterol-7-O-β-D-glucopyranoside and luteolin-7-O--D-glucopyranoside, were isolated [5].…”

“…In silico docking study for these compounds revealed that stachydrine is more likely to account for the antiproliferative activity of both the EtOAc and aqueous fractions [5]. Furthermore, eight compounds: palmitic acid, tricosan-1-ol, pentadecan-1-ol and icosyl acetate, a mixture of -sitosterol & stigmasterol, β-sitosterol-7-O-β-D-glucopyranoside and luteolin-7-O--D-glucopyranoside, were isolated [5]. According to the recent review, the most chemically investigated genus is Leonurus, while, Lavandula latifolia, Lamium garganicum, Lamium purpureum and Melissa officinalis.…”