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Bioactive profiling and evaluation of anti-proliferative and anti-cancerous properties of Shivagutika, an Indian polyherbal formulation synchronizing in vitro and in silico approaches.

ABSTRACT: Shivagutika is a polyherbal formulation mentioned in Ayurveda, the oldest system of medicine. The aim of this study was to investigate the anti-breast cancer potential of DCM extract of Shivagutika using MCF-7, MDA-MB-231, and MDA-MB-468. Primarily, various extracts of Shivagutika were prepared and subjected to primary in vitro analysis-total protein, phenolic acid content, and flavonoid content. DCM extract among all the extracts showed the promising results hence, it was subjected to LC-MS/MS analysis to identify the phytochemicals. The same extract was subjected to anti-proliferation assay and anti-cancer assay. It inhibited all the 3 cell lines and increased the activity of Caspase 3, pro-apoptotic protein. Further, to find the potent molecule(s) in silico analysis (molecular docking and molecular dynamics simulation studies) was performed. Sciadopitysin was identified as a potent molecule among all phytochemicals as it interacted with Caspase 3 with a binding energy of -7.2 kcal/mol. MD simulation studies also revealed that Sciadopitysin was stable inside the binding pocket of Caspase 3 by interacting with the amino acids in the catalytic site thereby activating the Caspase 3 levels. By all the above results, Shivagutika could be used as a potent anti-breast cancer agent (specifically DCM extract of Shivagutika) which could decrease the cases of breast cancer in future.

SUBMITTER: V H P

PROVIDER: S-EPMC10230648 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature

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Bioactive profiling and evaluation of anti-proliferative and anti-cancerous properties of Shivagutika, an Indian polyherbal formulation synchronizing in vitro and in silico approaches.

V H Pushpa P Kuruburu Mahadevaswamy G MG M K Jayanthi J N Akshaya Simha AS Taha Babakr Abdullatif A Sreenivasan Rajesh R Ramu Ramith R Madhunapantula SubbaRao V SV

Frontiers in chemistry 20230517

Shivagutika is a polyherbal formulation mentioned in Ayurveda, the oldest system of medicine. The aim of this study was to investigate the anti-breast cancer potential of DCM extract of Shivagutika using MCF-7, MDA-MB-231, and MDA-MB-468. Primarily, various extracts of Shivagutika were prepared and subjected to primary in vitro analysis-total protein, phenolic acid content, and flavonoid content. DCM extract among all the extracts showed the promising results hence, it was subjected to LC ...[more]

PMID: 37265589

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Project description:Cancer is a complex global health challenge that requires novel and holistic approaches to treatment and prevention. Polyherbal medicines, composed of multiple plants with historical use in traditional medicine, have gained popularity due to their safety, cost-effectiveness, and accessibility. However, selecting the right plants and determining optimal combinations for enhanced biological effects remains challenging. To address this, a molecular docking study was conducted, targeting proteins implicated in cancer pathogenesis. The study identified bioactive compounds with strong binding energies, guiding the selection of polyherbal formulations for further experimentation. Using response surface methodology, various combinations of plant extracts were screened for their antioxidant properties and phytochemical content. Among the formulations tested, PHEE (Polyherbal Ethanolic Extract), comprising 70% soursop leaf, 5% jackfruit leaf, 5% orange peel, 15% citrus juice, and 5% apple fruit ethanolic extracts, exhibited the most potent biological activities, followed by SLEE (Soursop Leaf Ethanolic Extract), a 100% soursop leaf ethanolic extract. Design Expert Software predicted soursop leaf extract as a key contributor to desirable outcomes, attributed to its rich phytochemical composition. Cell-based assays revealed varying cytotoxic effects of the extracts on leukemia cells, with PHEE showing the highest potency (IC50 = 2.50 μg/mL), followed closely by SLEE (IC50 = 2.90 μg/mL). These effects are potentially due to the abundant acetogenins and flavonoids present in the extracts. However, caution is warranted regarding their cytotoxicity to normal cells. Apoptotic studies confirmed the ability of both PHEE and SLEE to induce programmed cell death, further supporting their potential as anticancer agents. This research underscores the importance of strategic plant combinations in polyherbal formulations and highlights PHEE as a promising candidate for further investigation in cancer treatment.

Dataset Information

Bioactive profiling and evaluation of anti-proliferative and anti-cancerous properties of Shivagutika, an Indian polyherbal formulation synchronizing in vitro and in silico approaches.

Publications

Bioactive profiling and evaluation of anti-proliferative and anti-cancerous properties of Shivagutika, an Indian polyherbal formulation synchronizing <i>in vitro</i> and <i>in silico</i> approaches.

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