Interplay of precision therapeutics and MD study: Calocybe indica's potentials against cervical cancer and its interaction with VEGF via octadecanoic acid DOI Creative Commons
Suhana Datta, Preeti Verma, Bikram Dhara

et al.

Journal of Cellular and Molecular Medicine, Journal Year: 2024, Volume and Issue: 28(8)

Published: April 1, 2024

The evolving landscape of personalized medicine necessitates a shift from traditional therapeutic interventions towards precision-driven approaches. Embracing this paradigm, our research probes the efficacy aqueous crude extract (ACE) Calocybe indica in cervical cancer treatment, merging botanical insights with advanced molecular research. We observed that ACE exerts significant influences on nuclear morphology and cell cycle modulation, further inducing early apoptosis showcasing prebiotic attributes. Characterization have identified several phytochemicals including presence octadeconoic acid. Simultaneously, utilizing Molecular Dynamics (MD) simulations, we deciphered intricate interactions between Vascular Endothelial Growth Factor (VEGF) Octadecanoic acid to establish C.indica's role as an anticancer agent. Our study delineates acid's potential robust binding partner for VEGF, comprehensive analyses RMSD RMSF profiles highlighting stability adaptability protein-ligand interactions. Further in-depth thermodynamic explorations via MM-GBSA calculations reveal VEGF-Octadecanoic complex. Emerging innovations, encompassing proteolysis-targeting chimeras (PROTACs) avant-garde nanocarriers, are discussed context their synergy compounds like P&C. This convergence underscores profound awaiting clinical exploration. offers holistic perspective promising avenues facilitated by C. against cancer, intricately woven prospective integration precision therapeutics modern oncology.

Language: Английский

Bioactivity and GC-MS Profile of Extract from Static Cultures of Fungi Isolated from the Leaf of Solanum lycopersicum DOI

Israel Tefe,

Emmanuel Kyame Oppong,

Mahama Alhassan

et al.

Research Square (Research Square), Journal Year: 2025, Volume and Issue: unknown

Published: April 14, 2025

Abstract This research investigated bioactive compounds produced by endophytic fungi isolated from Solanum lycopersicum (tomato) leaves, with a focus on antimicrobial and antioxidant properties. The fungal extract exhibited significant activity against Staphylococcus aureus, Streptococcus pyogenes, Enterococcus faecalis, Klebsiella pneumoniae Candida albicans. Minimum Inhibitory Concentration (MIC) Bactericidal (MBC) values were 0.8 mg/mL, demonstrating the extract's potency, particularly E. faecalis. also showed activity, 34.9% inhibition rate. TLC analysis, using hexane: ethyl acetate: acetic acid (25:25:3) solvent system, identified two distinct spots (spots A B) Rf of 0.50 0.80, respectively. Visualisation p-Anisaldehyde revealed pink deep blue colours, confirming presence various compounds. highlights potential as valuable sources agents, implications for pharmaceuticals public health.

Language: Английский

Citations

0
Interplay of precision therapeutics and MD study: Calocybe indica's potentials against cervical cancer and its interaction with VEGF via octadecanoic acid DOI Creative Commons
Suhana Datta, Preeti Verma, Bikram Dhara

et al.

Journal of Cellular and Molecular Medicine, Journal Year: 2024, Volume and Issue: 28(8)

Published: April 1, 2024

The evolving landscape of personalized medicine necessitates a shift from traditional therapeutic interventions towards precision-driven approaches. Embracing this paradigm, our research probes the efficacy aqueous crude extract (ACE) Calocybe indica in cervical cancer treatment, merging botanical insights with advanced molecular research. We observed that ACE exerts significant influences on nuclear morphology and cell cycle modulation, further inducing early apoptosis showcasing prebiotic attributes. Characterization have identified several phytochemicals including presence octadeconoic acid. Simultaneously, utilizing Molecular Dynamics (MD) simulations, we deciphered intricate interactions between Vascular Endothelial Growth Factor (VEGF) Octadecanoic acid to establish C.indica's role as an anticancer agent. Our study delineates acid's potential robust binding partner for VEGF, comprehensive analyses RMSD RMSF profiles highlighting stability adaptability protein-ligand interactions. Further in-depth thermodynamic explorations via MM-GBSA calculations reveal VEGF-Octadecanoic complex. Emerging innovations, encompassing proteolysis-targeting chimeras (PROTACs) avant-garde nanocarriers, are discussed context their synergy compounds like P&C. This convergence underscores profound awaiting clinical exploration. offers holistic perspective promising avenues facilitated by C. against cancer, intricately woven prospective integration precision therapeutics modern oncology.

Language: Английский

Citations

2