ŞENKARDEŞ, SEVİL2022-09-272022-09-272022-09-01ŞENKARDEŞ S., KART D., Bebek B., GÜNDÜZ M. G. , Kucukguzel S. G. , "Synthesis, antimicrobial properties and in silico studies of aryloxyacetic acid derivatives with hydrazone or thiazolidine-4-one scaffold", JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 20220739-1102https://hdl.handle.net/11424/281777In this work, twenty hydrazide-hydrazone and 4-thiazolidinone derivatives were synthesized starting from m-cresol. Antimicrobial evaluation was carried out by microdilution method against Enterococcus faecalis and Staphylococcus aureus as Gram-positive bacteria and Escherichia coli and Pseudomonas aeruginosa as Gram-negative bacteria, and three pathogenic fungi Candida albicans, Candida parapsilosis and Candida krusei. Some compounds possessed considerable antimicrobial properties against the tested microorganisms, particularly against E. coli. 4-Thiazolidinones containing 3-methoxyphenyl and 3,5-dichlorophenyl moieties (4h and 4i) were found to be the most active derivatives with MICs of 2 mu g/mL against E. coli. N\"-[(3,5-dichlorophenyl)methylidene]-2-(3-methylphenoxy)acetohydrazide (3i) also displayed antifungal activity against Candida krusei that was comparable to fluconazole. Calculated drug-likeness and ADMET parameters of the most active compounds confirmed their potential as antimicrobial drug candidates. Molecular docking investigations were carried out in the thiamine diphosphate-binding site of pyruvate dehydrogenase multienzyme complex E1 component (PDHc-E1) to clarify the potential antibacterial mechanism against E. coli. The results showed the potential and importance of developing new hydrazones and 4-thiazolidinones that would be effective against microbial strains. Communicated by Ramaswamy H. Sarmaenginfo:eu-repo/semantics/openAccessTıpYaşam BilimleriMoleküler Biyoloji ve GenetikSitogenetikSağlık BilimleriTemel Tıp BilimleriBiyofizikBiyokimyaTemel BilimlerMedicineLife SciencesMolecular Biology and GeneticsCytogeneticHealth SciencesFundamental Medical SciencesBiophysicsBiochemistryNatural SciencesBİYOKİMYA VE MOLEKÜLER BİYOLOJİYaşam Bilimleri (LIFE)BİYOFİZİKBiyoloji ve BiyokimyaBIOCHEMISTRY & MOLECULAR BIOLOGYMOLECULAR BIOLOGY & GENETICSLife Sciences (LIFE)BIOPHYSICSBIOLOGY & BIOCHEMISTRYİlaç KeşfiBiyokimya (tıbbi)Yapısal BiyolojiMoleküler BiyolojiKlinik BiyokimyaKanser AraştırmalarıYaşlanmaBiyokimya, Genetik ve Moleküler Biyoloji (çeşitli)Genel Biyokimya, Genetik ve Moleküler BiyolojiDrug DiscoveryBiochemistry (medical)Structural BiologyMolecular BiologyClinical BiochemistryCancer ResearchAgingBiochemistry, Genetics and Molecular Biology (miscellaneous)General Biochemistry, Genetics and Molecular Biologyarticle10.1080/07391102.2022.2121761