Qsar approach and synthesis of chalcone derivatives as antimalarial compound against plasmodium falciparum 3d7 strain

• Main Authors: Mulyana, F.E (Author), Riza, N.F (Author), Stansyah, Y.M (Author), Tahir, I. (Author), Wahyuningsih, T.D (Author), Waskitha, S.S.W (Author)
• Format: Article
• Language: English
• Published: Rasayan Journal of Chemistry, c/o Dr. Pratima Sharma 2021
• Subjects: Antimalarial Agent; Chalcone; Claisen-Schmidt Condensation; Molecular Docking; QSAR Approach
• Online Access: View Fulltext in Publisher

 A quantitative structure-activity relationship (QSAR) analysis of serial chalcone derivatives as antimalarial agents against Plasmodium falciparum strain 3D7 (Pf3D7) was conducted, it was then used to predict the activity of several synthesized chalcones. The QSAR analysis was performed using stepwise multiple linear regression, and the results showed that the antimalarial activity of chalcone derivatives had a strong correlation towards electronic and molecular descriptors. The best QSAR model was used for designing 3 chalcone derivatives which were further synthesized, characterized, and tested as an antimalarial agent. This study revealed that (E)-3-(4-methoxyphenyl)-1-(2,4-dimethoxyphenyl) prop-2-en-1-one had an excellent activity as an antimalarial agent with an IC50 value of 1.29 μM. Molecular docking results showed that it interacted nicely on the PfDHODH active site. © 2021, Rasayan Journal of Chemistry, c/o Dr. Pratima Sharma. All rights reserved.