title: Synthesis, antimicrobial activity and advances in structure-activity relationships (SARs) of novel tri-substituted thiazole derivatives.
abstract: Trisubstituted thiazoles were synthesized and studied for their antimicrobial activity and supported by theoretical calculations. In addition, MIC, MBC and MFC were also tested. Moreover, the present study was analyzed to scrutinize comprehensive structure-activity relationships. In fact, LUMO orbital energy and orbital orientation was reliable to explain their antibacterial and antifungal assay. Amongst the tested compounds, tri-methyl-substituted thiazole compound showed higher antimicrobial activity and low MIC value due to highest LUMO energy.
authors: Department of Chemistry, State University of Ponta Grossa, Ponta Grossa, Parana, Brazil.
authors: Guda Mallikarjuna
authors: GM
authors: Reddy
authors: Department of Chemistry, State University of Ponta Grossa, Ponta Grossa, Parana, Brazil. Electronic address: nagareddy.organic@gmail.com.
authors: Jarem Raul
authors: JR
authors: Garcia
authors: Department of Chemistry, Indian Institute of Chemical Technology, Hyderabad, Telangana, India.
authors: Vemulapati Hanuman
authors: VH
authors: Reddy
authors: Group of Chemical Simulation, State University of Ponta Grossa, Ponta Grossa, Parana, Brazil.
authors: Ageo Meier
authors: AM
authors: de Andrade
authors: Group of Chemical Simulation, State University of Ponta Grossa, Ponta Grossa, Parana, Brazil.
authors: Alexandre
authors: A
authors: Camilo
authors: Group of Chemical Simulation, State University of Ponta Grossa, Ponta Grossa, Parana, Brazil.
authors: Renan Augusto
authors: RA
authors: Pontes Ribeiro
authors: Group of Chemical Simulation, State University of Ponta Grossa, Ponta Grossa, Parana, Brazil.
authors: Sergio Ricardo
authors: SR
authors: de Lazaro
mesh_terms: D000900:Anti-Bacterial Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D000935:Antifungal Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D001231:Aspergillus flavus / Q000187:drug effects; D001234:Aspergillus niger / Q000187:drug effects; D001419:Bacteria / Q000187:drug effects; D060326:Chemistry Techniques, Synthetic; D015195:Drug Design; D008958:Models, Molecular; D008968:Molecular Conformation; D055672:Static Electricity; D013329:Structure-Activity Relationship; D013844:Thiazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000900:Anti-Bacterial Agents; D000935:Antifungal Agents; D013844:Thiazoles
keywords: Antimicrobial; MBC/MFC; MIC; Simulation studies; Thiazoles