title: Synthesis, in vitro biological screening and molecular docking studies of novel camphor-based thiazoles.
abstract: Synthesis, characterization and investigation of antibacterial and antifungal activities of twelve camphor based 2,4-disubstituted 1,3-thiazoles is presented. Their structures were determined using NMR, IR, FAB MS and HRMS analyses. Among the derivatives, 3i and 5 were found to exhibit antifungal and antibacterial activities comparable to that of fluconazole and ciprofloxacin against yeast belonging to Candida spp., MIC 0.12-0.98 μg/ml and Gram-positive bacteria including both pathogenic S. aureus and opportunistic S. epidermidis, MIC 0.98-7.81 μg/ml, B. subtilis and B. cereus, MIC 3.91-31.25 μg/ml, and M. luteus, MIC 0.98 μg/ml species, respectively. Molecular docking studies of all compounds into the active sites of microbial enzymes indicated a possible targets SAP and NMT, thiazoles 3a-j, 4, 5 showed more favourable affinity than the native ligand.
authors.forename: Krzysztof Z
authors.initials: KZ
authors.lastname: Laczkowski
authors.forename: Konrad
authors.initials: K
authors.lastname: Misiura
authors.forename: Anna
authors.initials: A
authors.lastname: Biernasiuk
authors.forename: Anna
authors.initials: A
authors.lastname: Malm
authors.forename: Agata
authors.initials: A
authors.lastname: Siwek
authors.forename: Tomasz
authors.initials: T
authors.lastname: Plech
authors.forename: Emilia
authors.initials: E
authors.lastname: Ciok-Pater
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Skowron
authors.affiliation: Department of Chemical Technology and Pharmaceuticals, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Jurasza 2, 85-089 Bydgoszcz, Poland. krzysztof.laczkowski@cm.umk.pl.
authors.forename: Eugenia
authors.initials: E
authors.lastname: Gospodarek
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D001426:Bacterial Proteins / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D002164:Camphor / Q000737:chemistry* / Q000494:pharmacology; D002175:Candida / Q000187:drug effects / Q000201:enzymology / Q000254:growth & development; D005656:Fungal Proteins / Q000737:chemistry / Q000378:metabolism; D006094:Gram-Positive Bacteria / Q000187:drug effects / Q000201:enzymology / Q000254:growth & development; D008024:Ligands; D008826:Microbial Sensitivity Tests; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D013844:Thiazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D001426:Bacterial Proteins; D005656:Fungal Proteins; D008024:Ligands; D013844:Thiazoles; D002164:Camphor