IN SILICO SCREENING OF COMPOUNDS FROM Nelumbo nucifera LEAVES WITH INHIBITORY POTENTIAL AGAINST HMG-CoA REDUCTASE FOR THE TREATMENT OF DYSLIPIDEMIA
DOI:
https://doi.org/10.62985/j.huit_ojs.vol26.no1E.330Từ khóa:
Nelumbo nucifera, HMG-CoA reductase, dyslipidemia, molecular docking, in silico, ADMETTóm tắt
Dyslipidemia (DLP) is a major risk factor for many serious cardiovascular diseases. The enzyme HMG-CoA reductase (HMGCR) plays a rate-limiting role in cholesterol biosynthesis, making it a key target in the treatment of DLP. This study utilized in silico screening methods to evaluate the HMGCR inhibitory potential of compounds extracted from lotus leaves (Nelumbo nucifera). Through molecular docking analysis, three compounds—Luteolin, Eriodictyol (5,7,3',5'-tetrahydroxyflavanone) and Kaempferol 7-O-glucoside—were found to have low binding energies with HMGCR, along with favorable drug-likeness properties and pharmacokinetic (ADMET) parameters according to Lipinski's criteria. These findings suggest the potential application of these compounds as natural HMGCR inhibitors, providing a promising direction for developing safer and more effective treatments for DLP compared to current synthetic statins. However, these findings warrant further in vitro and in vivo investigations to substantiate the observed potential.
Tài liệu tham khảo
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