Browsing Sivas Teknik Bilimler Meslek Yüksekokulu by Subject "Molecular docking"
Now showing items 1-14 of 14
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A new 1-D polymeric chains of (C5H6ClN2)[CdCl3H2O].H2O perovskite: Synthesis, Structure, Physico-Chemical Characteristics, theoretical calculations, and biological effects
(elsevier, 24.07.2023)A novel 1D polymeric chains material (C5H6ClN2)[CdCl3H2O].H2O perovskite was successfully synthesized with the use slow evaporation process. According to the single-crystal X-ray diffraction, the structure was deduced ... -
Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: Antidiabetic and anticholinergics and anticancer potentials
(09 October)b-Amino alcohols (2–4) used in this study were re-synthesized in accordance with our previous study. All compounds were characterized by the combination of NMR, UV–Vis, IR experimental and theoretical spectral data. Then, ... -
Eco-friendly and potential colin esterase enzyme inhibitor agent sulfonyl hydrazone series: Synthesis, Bioactivity Screening, DFT, ADME properties, and Molecular Docking study
(Journal of Molecular Structure, 4 April 20)In this study, new compounds containing the sulfonamide group and having inhibitory activity on cholinesterase enzymes (AChE, BChE) were synthesized. For this purpose, three new sulfonylhydrazone compounds were synthesized ... -
Eco-friendly and potential colin esterase enzyme inhibitor agent sulfonyl hydrazone series: Synthesis, Bioactivity Screening, DFT, ADME properties, and Molecular Docking study
(elsevier, 04.04.2023)In this study, new compounds containing the sulfonamide group and having inhibitory activity on cholinesterase enzymes (AChE, BChE) were synthesized. For this purpose, three new sulfonylhydrazone compounds were synthesized ... -
Immobilization of pectinase on chitosan-alginate-clay composite beads: Experimental, DFT and molecular docking studies
(elsevier, 27.08.2023)Pectinase was immobilized on chitosan-alginate-clay (CAC) beads using epichlorohydrin (ECH) as the crosslinker. Prepared beads and immobilization product were analyzed by Fourier Transform Infrared Spectrophotometry (FTIR) ... -
In vitro cytotoxic effects, in silico studies, some metabolic enzymes inhibition, and vibrational spectral analysis of novel β-amino alcohol compounds
(Journal of Molecular Structure, 8 October )In this study, an efficient single-step method for the preparation of β-amino alcohols ( 1 –3 ) in aqueous media was applied. The aim was to investigate the cytotoxic activity of Compounds 1, 2 and 3 in neu- roblastoma ... -
Investigation of structural, electronical and in vitro cytotoxic activity properties of some heterocyclic compounds
(19 July 20)A series of heterocyclic compounds ( 15 ) were synthesized, characterized and tested towards two human cancer cell lines for learning their in vitro antiproliferative activities. Compound 3 demonstrated the most promising ... -
Moderate DNA and high SARS-CoV-2 spike protein affinity of oxidovanadium(IV) complexes of 2-furoic acid hydrazones: In silico and in vitro approach
(Journal of Molecular Structure, 1 Septembe)The interaction of five neutral heteroleptic octahedral paramagnetic mononuclear oxidovanadium(IV) complexes of general composition [VIVO(bpy)L], where L is a dianionic tridentate ONO-donor hydrazone ligand derived from ... -
Molecular hybrids integrated with imidazole and hydrazone structural motifs: Design, synthesis, biological evaluation, and molecular docking studies
(elsevier, 03.10.2023)In the present work, a series of compounds containing imidazole and hydrazone structural frameworks were synthesized and characterized using various spectral techniques, including 1H NMR, 13C NMR, FTIR, and HRMS. Synthesized ... -
Synthesis of (4R)-2-(3-hydroxyphenyl)thiazolidine- 4-carboxylic acid substituted phthalocyanines: Anticancer activity on different cancer cell lines and molecular docking studies
(9 March 20)In this study, firstly, (4R)-2-(3-hydroxyphenyl)thiazolidine-4-carboxylic acid (1) and (4R)-2-(3-(3,4-dicyanophenoxy)phenyl)thiazolidine-4-carboxylic acid (2) were prepared. Then, the novel type metallophthalocyanines ... -
Synthesis of novel Cu(II) complexes with N2O2 ligands: Characterization, theoretical calculations, antimicrobial, antioxidant, DNA binding, and in vitro anticancer activity studies
(elsevier, 01.07.2023)The aim was to investigate the in vitro antimicrobial, antioxidant, cytotoxic activities and pBR322 Plasmid DNA interaction potentials of newly synthesized Schiff bases and their copper complexes. Cytotoxic activities of ... -
Synthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from lawsone
(5 June 202)Some metabolic enzyme inhibitors can be used as Multi-target-Directed-Ligands (MTDL) in Medicinal chemistry therefore, synthesis and determination of alternative inhibitors are essential. In this study, novel bisnapthoquinone ... -
Synthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5- benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)-one phthalocyanine derivatives
(Inorganica Chimica Acta, 23 July 20)Different properties of phthalocyanine compounds can be measured both theoretically and experimentally. In this study, tetra substituted phthalocyanines (H2 (2) and CuII (3) were performed using 4-(4-(4-methoxyphenethyl) ... -
Synthesis, characterization, crystallographic aspects, Fukui function, and photodynamic antifungal chemotherapy investigation of Cd (II)-tricyanomethanide coordination polymer: Insights from DFT
(Inorganic Chemistry Communications, 8 July 202)This study delves into the synthesis, crystal structure, structural topology, photodynamic antifungal therapy (PACT), and DFT-based investigations of one [Cd(TCM)2]n coordination polymer (TCM = tricyanomethanide). The ...