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Öğe Design, Synthesis, SAR and Molecular Modeling Studies of Novel Imidazo[2,1-b][1,3,4]Thiadiazole Derivatives as Highly Potent Antimicrobial Agents(Wiley-V C H Verlag Gmbh, 2018) Tahtaci, Hakan; Karacik, Hatice; Ece, Abdulilah; Er, Mustafa; Seker, Mine GulIn this study, a novel series of phenyl substituted imidazo[2,1-b][1,3,4]thiadiazole derivatives were synthesized, characterized and explored for antibacterial activity against Gram-negative Escherichia coli, Gram-positive Staphylococcus aureus and Bacillus subtilis and antifungal activity against Candida albicans. Most of the synthesized compounds exhibited remarkable antimicrobial activities, some of which being ten times more potent than positive controls. The most promising compound showed excellent activity with MIC value of 0.03g/ml against both S. aureus and B. subtilis (MIC values of positive compound Chloramphenicol are 0.4g/ml and 0.85g/ml, respectively). Furthermore, structure-activity relationship was also investigated with the help of computational tools. Some physicochemical and ADME properties of the compounds were calculated too. The combination of electronic structure calculations performed at PM6 level and molecular docking simulations using Glide extra-precision mode showed that the hydrophobic nature of keto aryl ring with no electron withdrawing substituents at para position enhances activity while electron-donating substituents at the second aryl ring is detrimental to activity.Öğe Ultrasound bath-assisted extraction of essential oils from clove using central composite design(Elsevier Science Bv, 2015) Tekin, Kubilay; Akalin, Mehmet Kuddusi; Seker, Mine GulUltrasound-assisted extraction of essential oils from clove was carried out using central composite design (CCD). The extraction parameters were optimized with response surface methodology (RSM). Three independent variables were extraction temperatures (ranging from 32 to 52 degrees C), extraction times (ranging from 30 to 60 min), and plant concentrations (ranging from 3 to 7%). The dependent (response) variable was clove extract. In this study, all the experiments were carried out in an ultrasound bath with a frequency of 53 kHZ. A high coefficient of correlation (0.94) was obtained between the predicted and actual clove extract yields. This result demonstrates the validity of the model used in the experiment. The statistical results showed that the extraction temperature had the most significant influence on the clove extract yield. The clove extract contained the following compounds: eugenol, a-caryophyllene, and 2-methoxy-4-(2-propenyl) phenol acetate. The major compound in the clove extract was eugenol. Antibacterial studies showed that essential oils derived from the ultrasound extraction of clove may be used as alternative bactericidal and bacteriostatic agents in the pharmaceutical industry. (C) 2015 Elsevier B.V. All rights reserved.