Berberine: A Potential Inhibitor of Dihydrofolate ReductaseThymidylate Synthase (DHFR-TS) for Malaria

TAEK, Maximus M (2022) Berberine: A Potential Inhibitor of Dihydrofolate ReductaseThymidylate Synthase (DHFR-TS) for Malaria. BIOSFER: Jurnal Tadris Biologi, 13 (1). pp. 93-99. ISSN 2580-4960

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Abstract

The goal of this study was to genetically link natural materials derived from Tinospora crispa L with Berberine to dihydrofolate reductasethymidylate synthase (DHFR-TS). Method: The ligand berberine (CID: 2353) was obtained from Pubchem, while the protein DHFR-TS (PDB ID 2bl9) was obtained from Protein Data Bank. The ligands and proteins interacted with HEX 8.0.0.0 and were visualized with Discovery Studio. The researchers discovered a positive interaction between berberine and DHFR-TS, observed at four amino acid residues that bind to the protein TYR125, ILE121, LEU45, and MET54. Van der Waals interactions, hydrogen bonds, Pi-Sulfur, Pi-Alkyl, and Pi-Stalked interactions all contribute to strength and stability. In conclusion, berberine has the potential to act as a DHFR-TS inhibitor and thus prevent malaria.

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