title: 1-Aryl-3-(1H-imidazol-1-yl)propan-1-ol esters: synthesis, anti-Candida potential and molecular modeling studies.
abstract: BACKGROUND
  An increased incidence of fungal infections, both invasive and superficial, has been witnessed over the last two decades. Candida species seem to be the main etiology of nosocomial fungal infections worldwide with Candida albicans, which is commensal in healthy individuals, accounting for the majority of invasive Candida infections with about 30-40% of mortality.
  
  
  RESULTS
  New aromatic and heterocyclic esters 5a-k of 1-aryl-3-(1H-imidazol-1-yl)propan-1-ols 4a-d were successfully synthesized and evaluated for their anti-Candida potential. Compound 5a emerged as the most active congener among the newly synthesized compounds 5a-k with MIC value of 0.0833 μmol/mL as compared with fluconazole (MIC value >1.6325 μmol/mL). Additionally, molecular modeling studies were conducted on a set of anti-Candida albicans compounds.
  
  
  CONCLUSIONS
  The newly synthesized esters 5a-k showed more potent anti-Candida activities than fluconazole. Compounds 7 and 8 revealed significant anti-Candida albicans activity and were able to effectively satisfy the proposed pharmacophore geometry, using the energy accessible conformers (Econf < 20 kcal/mol).
authors.affiliation: Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P,O, Box 2457, Riyadh 11451, Saudi Arabia. mattia@ksu.edu.sa.
authors.forename: Mohamed I
authors.initials: MI
authors.lastname: Attia
authors.forename: Awwad A
authors.initials: AA
authors.lastname: Radwan
authors.forename: Azza S
authors.initials: AS
authors.lastname: Zakaria
authors.forename: Maha S
authors.initials: MS
authors.lastname: Almutairi
authors.forename: Soraya W
authors.initials: SW
authors.lastname: Ghoneim