Search Results - "SARIPINAR, Emin"
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Molecular docking and 4D-QSAR model of methanone derivatives by electron conformational-genetic algorithm method
Published in Journal of the Iranian Chemical Society (01-05-2020)“…In our QSAR study, pharmacophore identification and biological activity estimation of 80 methanone derivatives were performed with the Electron Conformation…”
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A novel hybrid method named electron conformational genetic algorithm as a 4D QSAR investigation to calculate the biological activity of the tetrahydrodibenzazosines
Published in Journal of computational chemistry (30-04-2020)“…To understand the structure–activity correlation of a group of tetrahydrodibenzazocines as inhibitors of 17β‐hydroxysteroid dehydrogenase type 3, we have…”
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A Convenient Synthesis of Functionalized 1H-Pyrimidine-2-ones/thiones, Pyridazine and Imidazole; Experimental Data and PM3 Calculations
Published in Heterocycles (01-10-2006)Get full text
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Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational- Genetic Algorithm Method
Published in Current computer-aided drug design (01-03-2018)“…The EC-GA method was employed in this study as a 4D-QSAR method, for the identification of the pharmacophore (Pha) of ruthenium(II) arene complex derivatives…”
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4D-QSAR Study of Some Pyrazole Pyridine Carboxylic Acid Derivatives By Electron Conformational-Genetic Algorithm Method
Published in Current computer-aided drug design (01-01-2018)“…In the present work, pharmacophore identification and biological activity prediction for 86 pyrazole pyridine carboxylic acid derivatives were made using the…”
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Efficient synthesis and molecular docking studies of new pyrimidine-chromeno hybrid derivatives as potential antiproliferative agents
Published in Synthetic communications (18-07-2021)“…Various novel heterocyclic compounds containing pyrimidine nuclei 5H-chromeno[4,3-d]pyrimidine (4a-c, e-h, l-r, t) and…”
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4D-QSAR analysis and pharmacophore modeling for alkynylphenoxyacetic acids as CRTh2 (DP2) receptor antagonists
Published in Turkish journal of chemistry (01-01-2018)Get full text
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Synthesis, Characterization, Biological Activity and Molecular Modeling Studies of Novel Aminoguanidine Derivatives
Published in ChemistrySelect (Weinheim) (06-12-2022)“…In recent years, various compounds including the aminoguanidine scaffold have been reported to exhibit diverse biological activities. In the current study, 16…”
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Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole
Published in Crystallography reports (01-12-2017)“…Crystal structure of the title compound C 22 H 19 N 3 O is determined by single crystal X-ray diffraction (sp. gr. P 2 1 / c , Z = 4). The molecule as a whole,…”
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Synthesis, carbonic anhydrase inhibitory activity, anticancer activity and molecular docking studies of new imidazolyl hydrazone derivatives
Published in Journal of molecular structure (05-12-2022)“…•New series of hydrazones possessing imidazole hybrids.•Inhibitory activities of all derivatives were evaluated hCA I and hCA II.•Antiproliferative activities…”
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Synthesis and thermolysis of the 2,3‐dihydro‐1 H ‐pyrole‐2,3‐diones, pseudopericyclic reactions of formyl( N ‐phenylimidoyl)ketene: Experimental data and PM3 calculations
Published in Journal of heterocyclic chemistry (01-07-2005)“…The reactions of the 2,3‐dihydro‐1 H ‐furan‐2,3‐dione 1 with Schiff bases 2a‐f at 60–70°C furnish the corresponding 2,3‐dihydro‐1 H ‐pyrole‐2,3‐diones 3a‐f …”
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Molecular hybrids integrated with imidazole and hydrazone structural motifs: Design, synthesis, biological evaluation, and molecular docking studies
Published in Journal of molecular liquids (01-12-2023)“…•Synthesis of a new imidazole derivatives with a hydrazone moiety.•Evaluation of synthesized compounds for in vitro anticancer potential.•Inhibitory activities…”
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The cytotoxic activities of imidazole derivatives prepared from various guanylhydrazone and phenylglyoxal monohydrate
Published in Synthetic communications (17-11-2019)“…A series of imidazole derivatives were synthesized from two-component condensation reaction of phenylgloxal monohydrate with guanylhydrazone. They were…”
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Synthesis, characterization, anti-tuberculosis activity and molecular modeling studies of thiourea derivatives bearing aminoguanidine moiety
Published in Journal of molecular structure (15-12-2022)“…•Synthesis of thiourea derivatives as antitubercular agents.•Evaluation of antimycobacterial activity by MABA.•Effective antitubercular agents with low…”
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Discovery of hydrazone containing thiadiazoles as Mycobacterium tuberculosis growth and enoyl acyl carrier protein reductase (InhA) inhibitors
Published in European journal of medicinal chemistry (15-02-2020)“…Tuberculosis, caused by Mycobacterium tuberculosis, is a serious infectious disease and remains a global health problem. There is an increasing need for the…”
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Experimental and theoretical studies on 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydropyrazole-1-carbonitrile: DFT quantum mechanical calculation, vibrational band analysis, prediction of activity spectra, and molecular docking
Published in Journal of molecular structure (15-03-2023)“…•A new compound was synthesized and fully characterized.•Theoretical calculations of compound were done.•PASS analysis of compound was implemented Synthesis,…”
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Antiproliferative activity and molecular docking studies of new 4-oxothiazolidin-5-ylidene acetate derivatives containing guanylhydrazone moiety
Published in Journal of molecular structure (15-06-2022)“…•A series of 4-oxothiazolidin-5-ylidene acetate derivatives containing guaylhydrazone moiety was synthesized.•All the new synthesized compounds were…”
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Novel 1,2,4-triazole-maleamic acid derivatives: synthesis and evaluation as anticancer agents with carbonic anhydrase inhibitory activity
Published in Journal of molecular structure (05-10-2024)“…•Synthesis and characterization of a novel 1,2,4-triazole-maleamic acid.•Biological evaluation as anticancer agents and carbonic anhydrase…”
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Imidazole-based hydrazones as potent anti-colon cancer agents: Design, synthesis, biological evaluation and computational studies
Published in Journal of molecular structure (15-12-2024)“…•Synthesis of imidazole and hydrazone hybrids as anticancer agents.•The inhibitive effect of synthesized compounds on HCT-116 and HT-29 cell…”
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Synthesis, Molecular Docking and Antiproliferative Activity Studies of a Thiazole‐Based Compound Linked to Hydrazone Moiety
Published in ChemistrySelect (Weinheim) (14-07-2022)“…(A new 4‐oxothiazolidin‐2‐ylidene derivative bearing hydrazone moiety was synthesized via Michael addition between the reaction of…”
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