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Title : EVALUATION OF ANTIMALARIAL ACTIVITY OF 4-METHOXYBENZOYL NEOLIGNAN DERIVATIVES THROUGH A MOLECULAR DOCKING STUDY AGAINST CHLOROQUINE-SENSITIVE AND -RESISTANT PROTEINS
Author :

Sugeng Triono, S.Si., M.Si. (1) Prof. Drs. Jumina, Ph.D. (2) Prof. Dr.rer.nat. Harno Dwi Pranowo, M.Si. (3) Prof Dr.dr. Eti Nurwening Sholikhah, M.Kes. (4)
Date : 20 2022
Keyword : Neolignan,molecular docking,antimalarial,chloroquine,protein Neolignan,molecular docking,antimalarial,chloroquine,protein
Abstract : In the present work, a molecular docking approach was conducted to investigate the antimalarial activity of neolignan derivatives with 4-methoxybenzoyl substituent (N1-N10) against chloroquine-sensitive and -resistant proteins. It was found that the neolignan derivatives were able to interact with the amino acid residues of Ala16, and Ser167/Tyr170 in the active site of the chloroquine-sensitive protein. On the other hand, the interactions of the neolignan derivatives with Arg59, Arg122, and Phe116/Ser120 residues were observed in the active site of the chloroquine-resistant protein. Most neolignan derivatives had stronger interaction than the native ligands in the active sites of both proteins. Among the evaluated neolignan derivatives, N9 and N8 compounds gave the strongest binding energy against the active sites of chloroquine-sensitive and -resistant proteins, respectively. These findings demonstrate that the presence of the nitro group in the neolignan structure is crucial for its inhibitory activity against chloroquine-sensitive and -resistant proteins.
Group of Knowledge : Kimia
Original Language : English
Level : Internasional
Status :
Published
Document
No Title Document Type Action
1 Sugeng Evaluation jurnal_2117711_52d350808013139f507afb32be6c2352.pdf
Document Type : [PAK] Cek Similarity
[PAK] Cek Similarity View
2 Sugeng Evaluation jurnal_2117711_52d350808013139f507afb32be6c2352.pdf
Document Type : [PAK] Full Dokumen
[PAK] Full Dokumen View
3 Antimalarial Activity of Neolignans RJC_3798_pdf.pdf
Document Type : [PAK] Bukti Korespondensi Penulis
[PAK] Bukti Korespondensi Penulis View