In-silico and Cytotoxicity Assessment of Persea Americana Fruit Extract on MDA-MB-231 Breast Cancer Cells
Abstract:
Avocados, or Persea americana, have been traditionally used to treat a variety of illnesses. Breast cancer in women is a serious health issue that requires early detection and timely intervention for effective management and treatment. In silico investigations speed up and lower the cost of medication development by analyzing natural products using computational models. The phytochemicals in Persea americana fruit extract are examined in this work, along with their potential inhibitory effects on C-MET in triple-negative breast cancer. In contrast to the conventional, expensive, and complicated drug discovery procedures, these techniques are successful and economical. Investigating the phytochemicals' potential for C-MET inhibition and triple-negative breast cancer treatment was the aim of the study. Using molecular docking, this study found potent C-MET inhibitors, providing fresh information for the creation of therapeutic drugs. The extraction of bioactive chemicals from Persea americana pulp involved heating, boiling, and filtering. A comparison was made between the potential anticancer activity of 98 chosen chemicals and carboplatin. The SwissADME online service was used to analyze drug-likeness and pharmacokinetics, and the C-MET protein was used for molecular docking to measure compound affinity. With the help of BIOVIA Discovery Studio Visualizer, docked positions were examined. ProTox II was used for toxicological screening, which produced a list of lead chemicals that showed promise. The molecular targets of interest, toxicity profiles, and bioavailability were predicted by SwissADME and SwissTargetPrediction. The research revealed 5 phytochemicals from Persea americana that can be the potential drugs with strong binding affinities to C-MET and antineoplastic activity, thus treating TNBC and MDA-MB-231 once and for all. In case of Triple Negative Breast Cancer, using a structure-based drug design, 5 of the 98 phytochemicals with high bioactivity against C-MET demonstrated potent anticancer activity, which was confirmed by the MTT test.References:
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