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ISSN 2063-5346
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FLAVONOID DERIVATIVES AS POTENTIAL INHIBITORS FOR HUMAN HSP70 USING IN SILICO APPROACHES

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Rory Anthony Hutagalung[a,*], Reinhart[a], ErnawatiSinaga[b,*],RosmalenaRosmalena[c], SitiNurbaya[d], EldafiraEldafira[e],VivitriDewiPrasasty[f,*]
» doi: 10.48047/ecb/2023.12.12.97

Abstract

Background: Human Hsp70 exhibits significant potential as a target for treating a wide range of diseases, including cancer and dengue. Flavonoids have been selected as promising candidates for inhibiting Hsp70, with epigallocatechingallate and myricetin as positive controls. Methods:In this study, an in silico method involving docking ligands with the receptor was employed using AutoDockVina to identify flavonoid molecules capable of binding to the ATPase domain of Hsp70. Results: Molecular docking experiment results revealed that the two positive control molecules exhibited optimal binding energies of -9.0 kcal/mol and -10.2 kcal/mol, respectively. Seven of the eight other ligands tested demonstrated strong binding capabilities with the receptor. These findings suggest that various types of flavonoids hold potential as therapeutic agents in treating diseases involving Hsp70.

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