Rational drug design,synthesis,and biological evaluation of novel N-(2-arylaminophenyl)-2,3-diphenylquinoxaline-6-sulfonamides as potential antimalarial,antifungal,and antibacterial agents

作     者：Ahmed Hassen Shntaif Sharuk Khan Ganesh Tapadiya Anand Chettupalli Shweta Saboo Mohd Sayeed Shaikh Falak Siddiqui Ramkoteswra Rao Amara Ahmed Hassen Shntaif;Sharuk Khan;Ganesh Tapadiya;Anand Chettupalli;Shweta Saboo;Mohd Sayeed Shaikh;Falak Siddiqui;Ramkoteswra Rao Amara

作者机构：College of Science for WomenBabylon UniversityHillaBabil 00964Iraq MUPs College of Pharmacy(B Pharm)WashimMaharashtra 444506India Shreeyash Institute of Pharmaceutical Education and ResearchAurangabadMaharashtra 431010India Department of Pharmaceutical SciencesCenter for NanomedicineAnurag UniversityHyderabad 501301India Government College of PharmacyKaradMaharashtra 415124India Department of PharmacyShri Jagdishprasad Jhabarmal Tibrewala UniversityVidya NagariRajasthan 333001India 

基　　金：funding support from the National Natural Science Foundation of China(No.82074251) the Hunan Natural Science Foundation of China(No.2018JJ2413) the Hunan Provincial Health and Health Commission Project(No.c2018032) 

出 版 物：《Digital Chinese Medicine》 (数字中医药（英文）)

年 卷 期：2021年第4卷第4期

页      码：290-304页

摘      要：Objective Sulfanilamide,sulfadiazine,and dapsone were the first sulfonamides to be used to treat malaria by disrupting the folate biosynthesis process,which is essential for parasite ***,we aimed to synthesize novel N-(2-arylaminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide derivatives through a rational drug design *** All compounds were synthesized by the conventional method,and the products were characterized by spectral analysis(1 H NMR and mass spectrometry).The progression of the reaction was monitored using thin-layer chromatography(TLC).All the derivatives were analyzed for their effective binding mode in the allosteric site of the plasmodium cysteine protease *** and antifungal activities were determined using the broth dilution *** S6(N-(2-thiazol-4 yl)-acetyl-aminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide and S9(N-(1 H-benzo[d]imidazol-2-yl)aminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide formed five hydrogen bonds;S8(N-(2-1 H-imidazol-2 yl)aminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide and S10(N-(1 H-benzo[d]imidazol-5-yl)aminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide formed four hydrogen bonds with the allosteric site of the *** the docking scores and formation of hydrogen bonds with the target enzyme,the novel derivatives were processed for wet lab *** the newly synthesized derivatives were subjected to in vitro antimalarial,antifungal,and antibacterial *** the derivatives exhibited sufficient sensitivity to the Plasmodium falciparum strain compared to the ***,compounds S9 and S10 showed the most potent dual antimicrobial and antimalarial *** also exhibited powerful molecular interactions in molecular docking *** Based on the above results,it was concluded that N-(2-arylaminophenyl)-2,3-diphenylquinoxaline-6-sulfonamide derivatives have excellent biological potential to act as antimalarial,antifungal,

主 题 词：Sulfonamides Antimalarials Antifungal Antibacterial Plasmodium cysteine protease falcipain-2 2,3-Diphenylquinoxaline-6-sulfonamide Plasmodium falciparum 

学科分类：1007[医学-药学类] 1006[医学-中西医结合类] 100706[100706] 100701[100701] 100602[100602] 10[医学] 

D　O　I：10.1016/j.dcmed.2021.12.004

馆 藏 号：203107191...