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Determination of the effect of L. plantarum AB6-25, L. plantarum MK55 and S. boulardii T8-3C microorganisms on colon, cervix, and breast cancer cell lines: Molecular docking, and molecular dynamics study
(Elsevier B.V., 2022)
Cancer constitutes an important part of the diseases that are caused all over the world. Due to the side
effects of commonly used treatment options such as chemotherapy and radiotherapy, there has been a
tendency to seek ...
Synthesis, theoretical and experimental spectroscopic properties, molecular docking, ADMET, and RDG analysis of copper(II) complex of dichloro(1,10‑phenanthroline)(1,2,4‑triazole‑3‑carboxcylic acid
(Springer Science and Business Media Deutschland GmbH, 2022)
A new dichloro(1,10-phenanthroline)(1,2,4-triazole-3-carboxylic-acid)copper(II) was synthesized, and the most stable optimized structure was determined using the B3LYP/LANL2DZ basis set, followed by FTIR and NMR characterization. ...
Synthesis and Antibacterial Activity of New Chiral Aminoalcohol and Benzimidazole Hybrids
(Wiley-Blackwell, 2020)
New chiral aminoalcohol-benzimidazole hybrids have been synthesized from commercially available aminoalcohols. [S(+)-Phenylglycinol, S(−)- Phenylalaninol and S(+)- Leuicinol] and 2-(chloromethyl)-N-tosyl-1-H-benzimidazole. ...
A multi-spectroscopic, computational and molecular modeling studies on anti-apoptotic proteins with Boc-D-Lys-OH
(ELSEVIER, 2020)
Synthesized molecules have attracted much interest due their biological activity. Anti-apoptotic proteins such as BCL-2, BCL-w, MCL-1, AKT1 and BRAE have potential roles in apoptosis mechanism. Suppression of these ...
Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide
(Elsevier B.V., 2022)
N-cyclohexylacrylamıde (NCA), the synthesized compound, was evaluated for their cytotoxic activities against HeLa cancer cell line. Also, the current study has been analyzed by the use of molecular docking as protein-ligand ...
Synthesis of benzimidazole derivatives containing amide bond and biological evaluation as acetylcholinesterase, carbonic anhydrase I and II inhibitors
(Elsevier B.V., 2022)
Acetylcholinesterase (AChE) and carbonic anhydrase I (CA-I) and II (CA-II) are two vital metabolic enzymes. AChE inhibitors are seen as target molecules in drug development studies for Alzheimer's treatment. CA inhibitors ...
Molecular Docking, Drug Likeness, and ADMET Analyses of Passiflora Compounds as P-Glycoprotein (P-gp) Inhibitor for the Treatment of Cancer
(Springer Science and Business Media Deutschland GmbH, 2020)
Cancer disease leads to deaths worldwide. Anti-cancer drugs have a high prevalence of side effects and cause multidrug resistance (MDR) that remains a significant barrier to major cancer therapy. To date, chemical and ...
Experimental and DFT studies of 2-methyl-quinoxaline and its silver (I) complex: Non-covalent interaction analysis, antimicrobial activity and molecular docking study
(Elsevier B.V., 2022)
The current study describes the characterization and vibrational spectra (elemental analysis, FT-IR, 1H NMR and UV–Visible absorption) of 2-Methyl-quinoxaline (2-MQ) and synthesized [Ag(2-Methyl-quinoxaline)(NO3)]. The ...
Structural and spectroscopic characterization, electronic properties, and biological activity of the 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate
(Springer Science and Business Media Deutschland GmbH, 2023)
In this study, 4-(3-methoxyphenyl)piperazin-1-ium 4-(3-methoxyphenyl)piperazine-1-carboxylate monohydrate was synthesized and characterized by using spectroscopic (XRD, FT-IR, FT-Ra, and NMR) techniques. Theoretical ...
Copper(I) iodide complex with 4-pyridinecarboxaldehyde ligand: Synthesis, spectroscopic characterisation, AIM and NCI analysis combined with molecular docking and antibacterial activity studies
(Elsevier, 2023)
In this article, we synthesized a [CuI(4-pyridinecarboxaldehyde)4] complex characterized by CHN analy-ses, FT-IR, UV-Vis, and DFT. The spectroscopic characteristics and biological activities of the synthesized complex were ...
