Benorilate 750mg tablets

Abstract Malaria remains a significant global health burden, with more than 249 million cases reported annually worldwide. The disease disproportionately affects sub-Saharan Africa, where pregnant women and young children constitute the most vulnerable populations. Although several effective antimalarial therapies exist, prolonged treatment regimens often impede patient adherence and reduce therapeutic success. Moreover, the rapid emergence and spread of drug-resistant Plasmodium strains continue to undermine current control efforts, highlighting the urgent need for novel, more potent, and better-tolerated antimalarial agents. The current study used SWISS similarities investigations on 4-hydroxyl phenyl-3-nitro benzoate with Plasmepsin II (PDB ID: 1LEE) and the two standards chloroquine and lumefantrine were used, nine derivatives similar to 4-hydroxyl phenyl 3-nitro benzoate were obtained, molecular docking, density functional theory (DFT), and ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties were done, using Pyrex and Discovery studio soft wares. Physiochemical and Pharmacokinetic analyses were carried out using SwissADMET and PKCSM online servers, five derivatives had better binding affinities, with good ADMET properties B3- Benorilate (-6.8 kcal/mol), B4- Salsalate (-6.9 kcal/mol), B6- 2-Oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate (-8.2 kcal/mol), B7- Phenylsalicylate (-6.6 kcal/mol), and B9- Phenyl aminosalicylate (-6.6 kcal/mol) compare to Chloroquine (-6.1 kcal/mol) and Lumefantrine (-7.7 kcal/mol) used as standard drugs. From the ADMET and molecular dynamic simulation, compound B6 is a promising and potent hit compound for treating malaria disease compared to lumefantrine.

Abstract licence: CC BY