Antioxidant, DNA interaction, molecular docking and cytotoxicity studies of aminoethylpiperazine‐containing macrocyclic binuclear copper(II) complexes
Sign Up to like & getrecommendations! Published in 2017 at "Applied Organometallic Chemistry"
DOI: 10.1002/aoc.3669
Abstract: A series of new macrocyclic binuclear copper(II) complexes of the type [Cu2L1–5(ClO4)](ClO4) (1–5) were synthesized by template condensation between precursor compounds 2,6-bis(4-aminoethylpiperazin-1-ylmethyl)-4-substituted phenols and 2,6-diformyl-4-substituted phenols. The synthesized precursors and complexes were characterized using regular… read more here.
Keywords: copper complexes; binuclear copper; macrocyclic binuclear; cytotoxicity ... See more keywords
Synthesis, characterization and biological activities of two novel orthopalladated complexes: Interactions with DNA and bovine serum albumin, antitumour activity and molecular docking studies
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DOI: 10.1002/aoc.3740
Abstract: [Pd(L1)(C,N)]CF3SO3 and [Pd(L2)(C,N)]CF3SO3 (L1 = 2,2′-bipyridine, L2 = 1,10-phenanthroline and C,N = benzylamine) novel orthopalladated complexes have been synthesized and characterized using various techniques. The binding of the complexes with native calf thymus DNA (CT-DNA) was monitored using UV–visible… read more here.
Keywords: orthopalladated complexes; bovine serum; serum albumin; molecular docking ... See more keywords
Structural analysis and inhibition capacity of dioscorin protein yam: Theoretical study by molecular docking and dynamic simulations.
Sign Up to like & getrecommendations! Published in 2023 at "Archives of insect biochemistry and physiology"
DOI: 10.1002/arch.22025
Abstract: Proteases such as trypsins in the gut of Spodoptera frugiperda are responsible for breaking down dietary proteins into amino acids necessary for insect growth and development. In this study, we characterized the insecticidal potential of… read more here.
Keywords: molecular docking; energy; dioscorin; protein yam ... See more keywords
Design, synthesis, and molecular docking study of benzothiazolotriazine derivatives for anticonvulsant potential
Sign Up to like & getrecommendations! Published in 2018 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.201800154
Abstract: A series of newer benzothiazolotriazine derivatives (4a–k) was designed, synthesized, and characterized as anticonvulsant agents against the two classically used MES and scPTZ animal models. The synthesized derivatives were tested in vivo in both the… read more here.
Keywords: design synthesis; benzothiazolotriazine derivatives; study; animal models ... See more keywords
Semi‐synthesis, antibacterial activity, and molecular docking study of novel pleuromutilin derivatives bearing cinnamic acids moieties
Sign Up to like & getrecommendations! Published in 2019 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.201800266
Abstract: To develop new antibiotics owning a special mechanism, we used the molecular assembly method to synthesize a series of novel pleuromutilin derivatives containing a cinnamic acid scaffold at the C‐14 side chain. We evaluated their… read more here.
Keywords: study; antibacterial activity; pleuromutilin derivatives; activity ... See more keywords
Synthesis, cytotoxicity, and molecular docking of substituted 3‐(2‐methylbenzofuran‐3‐yl)‐5‐(phenoxymethyl)‐1,2,4‐oxadiazoles
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DOI: 10.1002/ardp.202000006
Abstract: A series of new benzofuran/oxadiazole hybrids (8a–n) was synthesized from 2H‐chromene‐3‐carbonitriles (3a–c) through the multistep synthetic methodology, and these hybrids are known to exhibit anticancer activities. All the compounds were evaluated for their in vitro… read more here.
Keywords: synthesis cytotoxicity; cytotoxicity molecular; docking substituted; activity ... See more keywords
Identification of new IDH2R140Q inhibitors by discriminatory analysis‐based molecular docking and biological evaluation
Sign Up to like & getrecommendations! Published in 2020 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202000063
Abstract: Isocitrate dehydrogenase 2 (IDH2) is a key enzyme in the regulation of cell metabolism. Its mutated type can lead to the accumulation of 2‐hydroxyglutarate, which is often related to malignancies such as acute myeloid leukemia.… read more here.
Keywords: new idh2r140q; analysis based; idh2r140q inhibitors; based molecular ... See more keywords
In vitro inhibitory effects of some acetophenone derivatives on some metabolic enzymes and molecular docking
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DOI: 10.1002/ardp.202000210
Abstract: In this study, the acetophenone derivatives 1–6 were found to be effective inhibitor molecules for α‐glycosidase, human carbonic anhydrases I and II (hCA I/II), and acetylcholinesterase (AChE), with Ki values in the range of 167.98 ± 25.06… read more here.
Keywords: inhibitory effects; vitro inhibitory; acetophenone derivatives; pdb ... See more keywords
Molecular docking studies of YKT tripeptide and drug delivery system with poly(ε-caprolactone) nanoparticles.
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202100437
Abstract: Tyrosyllysylthreonine (YKT) is a peptide structure that contains three different amino acids in its structure and has anticancer properties. The main purpose of this study is to reveal the structural interactions of the peptide and… read more here.
Keywords: study; studies ykt; poly caprolactone; microscopy ... See more keywords
Antiproliferative evaluations of triazoloquinazolines as classical DNA intercalators: Design, synthesis, ADMET profile, and molecular docking.
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DOI: 10.1002/ardp.202100487
Abstract: Novel triazoloquinazolines were designed and synthesized and evaluated as anticancer agents against HepG2 and HCT-116 cells. The biological testing data corresponded well to those of the molecular docking studies. The HCT-116 cell line was most… read more here.
Keywords: dna; molecular docking; admet profile; binding activities ... See more keywords
Synthesis, density functional theory calculation, molecular docking studies, and evaluation of novel 5‐nitrothiophene derivatives for anticancer activity
Sign Up to like & getrecommendations! Published in 2022 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200105
Abstract: Within the scope of this study, new 2‐{2‐[(5‐nitrothiophen‐2‐yl)methylene]hydrazinyl}thiazole derivatives (2a–j) were synthesized and investigated for their potential anticancer and enzyme inhibition activities. Spectroscopic techniques were used to determine the structures of substances. The anticancer activities… read more here.
Keywords: molecular docking; functional theory; anticancer activity; density functional ... See more keywords