Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical …
Coordination compounds of Ag (I), Cu (II), Ni (II), Fe (III) and VO (II) ions were synthesized
from the ligand 2-(((9H-purin-6-yl) imino) methyl)-4-bromophenol (ABS). Microanalysis …
from the ligand 2-(((9H-purin-6-yl) imino) methyl)-4-bromophenol (ABS). Microanalysis …
Fabrication, structural elucidation of some new metal chelates based on N-(1H-Benzoimidazol-2-yl)-guanidine ligand: DNA interaction, pharmaceutical studies and …
AM Abu-Dief, RM El-Khatib, T El‐Dabea… - Journal of Molecular …, 2023 - Elsevier
New medicinally active chelates were prepared from Cu (II), VO (II), Ag (I) and Pd (II) ions
with N-(1H-Benzoimidazol-2-yl)-guanidine, BIG ligand. The ligand performed as bi-dentate …
with N-(1H-Benzoimidazol-2-yl)-guanidine, BIG ligand. The ligand performed as bi-dentate …
DFT study, physicochemical, molecular docking, and ADMET predictions of some modified uridine derivatives
Uridine derivatives are important scaffolds of many organic substances, and are now
drawing more and more interests to chemist and biochemist for the synthesis of new drugs …
drawing more and more interests to chemist and biochemist for the synthesis of new drugs …
Synthesize, structural inspection, stoichiometry in solution and DFT calculation of some novel mixed ligand complexes: DNA binding, biomedical applications and …
AM Abu-Dief, T El‐Dabea, RM El-Khatib… - Journal of Molecular …, 2024 - Elsevier
Mixed ligand chelates of Pd (II), Cu (II), VO (II), and Ag (I) with (BIP= 4, 6-dimethyl-N-
(octahydro-2H-benzimidazol-2-ylidene) pyrimidin-2-amine) as a main ligand and (Phen= 1 …
(octahydro-2H-benzimidazol-2-ylidene) pyrimidin-2-amine) as a main ligand and (Phen= 1 …
Synthesis, structural, DFT, antibacterial, antifungal, anti-inflammatory, and molecular docking analysis of new VO (II), Fe (III), Mn (II), Zn (II), and Ag (I) complexes based …
YAA Alghuwainem, HM Abd El-Lateef… - Journal of Molecular …, 2023 - Elsevier
In this work, we synthesized and studied novel VO (II), Mn (II), Fe (III), Zn (II), and Ag (I)− 4-((2-
hydroxy-1-naphthyl) azo) benzenesulfonamide complexes. Characterization techniques …
hydroxy-1-naphthyl) azo) benzenesulfonamide complexes. Characterization techniques …
Synthesis, bioinformatics and biological evaluation of novel pyridine based on 8-hydroxyquinoline derivatives as antibacterial agents: DFT, molecular docking and …
The present study aims to first explore the relationship between the chemical structure of the
organic compounds (pyridine based on 8-hydroxyquinoline) and the antibacterial activities …
organic compounds (pyridine based on 8-hydroxyquinoline) and the antibacterial activities …
Synthesis, crystal structure, DFT calculations, Hirshfeld surface analysis, energy frameworks, molecular dynamics and docking studies of novel isoxazolequinoxaline …
Quinoxaline derivatives with the molecular formula [C 8 H 6 N 2] also named
benzopyrazines, which are a valuable class of heterocyclic compounds useful for their …
benzopyrazines, which are a valuable class of heterocyclic compounds useful for their …
Bio-active mixed ligand Cu (II) and Zn (II) complexes of pyrimidine derivative Schiff base: DFT calculation, antimicrobial, antioxidant, DNA binding, anticancer and …
N Revathi, M Sankarganesh… - Journal of …, 2021 - Taylor & Francis
A new series of bio active Cu (II) and Zn (II) complexes [CuL (phen)](OOCCH3)(1),[ZnL
(phen)](OOCCH3)(2),[CuL (bpy)](OOCCH3)(3),[ZnL (bpy)](OOCCH3)(4) have been …
(phen)](OOCCH3)(2),[CuL (bpy)](OOCCH3)(3),[ZnL (bpy)](OOCCH3)(4) have been …
New 3d multifunctional metal chelates of sulfonamide: spectral, vibrational, molecular modeling, DFT, medicinal and in silico studies
We are reporting a new synthetic design of sulfonamide entangled Schiff base ligands as H
2 L 1 and H 2 L 2 from 4-amino-N-(3-methyl-1, 2-oxazol-5-yl) benzene-1-sulfonamide and …
2 L 1 and H 2 L 2 from 4-amino-N-(3-methyl-1, 2-oxazol-5-yl) benzene-1-sulfonamide and …
Design, preparation, physicochemical characterization, structural conformational, biological evaluation, and DNA interaction for some new benzimidazole complexes
AM Abu‐Dief, RM El‐Khatib, T El‐Dabea… - Applied …, 2024 - Wiley Online Library
New Cu (II), VO (II), Ag (I), and Pd (II)‐[BIP= 4, 6‐dimethyl‐N‐(octahydro‐2H‐benzimidazol‐
2‐ylidene) pyrimidin‐2‐amine] chelates have been synthesized by the reaction of BIP ligand …
2‐ylidene) pyrimidin‐2‐amine] chelates have been synthesized by the reaction of BIP ligand …
相关搜索
- td dft vibrational calculation
- structural elucidation vibrational calculation
- td dft structural elucidation
- biomedical applications dft calculation
- biomedical applications structural elucidation
- structural inspection dft calculation
- molecular dynamics dft calculations
- ligand complexes dft calculation
- structural elucidation metal chelates
- molecular modeling metal chelates
- molecular docking antibacterial agents
- structural elucidation guanidine ligand
- schiff base dft calculation
- molecular docking uridine derivatives
- biomedical applications ligand complexes
- molecular docking biological evaluation