Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles-Reference-Cited by-同舟云学术

Computational details of molecular structure, spectroscopic properties, topological studies and SARS-Cov-2 enzyme molecular docking simulation of substituted triazolo pyrimidine thione heterocycles

Published:2021-11 Issue: Volume:261 Page:120006
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

El Sayed Doaa S.,Abdelrehim El-sayed M.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

Reference40 articles.

1. S.K. El saedany, M. A. Zein, E.M. Abdelrehim, R.M. Keshk, Synthesis, Anti‐Microbial, and Cytotoxic Activities Evaluation of Some New Pyrido[2,3‐d]Pyrimidines, J.Hetrocyclic Chem. 53 (2016) 1534. https://doi.org/10.1002/jhet.2460.

2. Synthesis of Some Novel Pyrido[2,3-d]pyrimidine and Pyrido[3,2-e][1,3,4]triazolo and Tetrazolo[1,5-c]pyrimidine Derivatives as Potential Antimicrobial and Anticancer Agents;Abdelrehim;J. Hetrocyclic Chem.,2018

3. Synthesis of novel alkyltriazole tagged pyrido[2,3-d]pyrimidine derivatives and their anticancer activity;Kurumurthy;Eur. J. Med. Chem.,2011

4. Analysis of the π-π Stacking Interactions between the Aminoglycoside Antibiotic Kinase APH(3′)-IIIa and Its Nucleotide Ligands;Boehr;Chem. Biol.,2002

5. The role of stacking interactions in complexes of proteins with adenine and guanine fragments of ligands;Pyrkov;Acta Nat.,2009

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Structural behavior and surface layer modification of (E)-N'-((1H-indol-3-yl) methylene)-4-chlorobenzohydrazide: Spectroscopic, DFT, biomedical activity and molecular dynamic simulation against Candida Albicans receptor;Journal of Molecular Structure;2024-09

2. Rational and experimental investigation of antihypotensive midodrine-Fe(III) complex: Synthesis, spectroscopy, DFT, biological activity and molecular docking;Journal of Molecular Structure;2024-09

3. Anticancer potential of isovanillin-based symmetrical azine: Synthesis, structure, molecular modeling, in silico leukemia inhibition and MD simulation;Journal of Molecular Structure;2024-09

4. Experimental and theoretical quantum chemical studies of 2-(2-acetamidophenyl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide and its copper(II) complex: molecular docking simulation of the designed coordinated ligand with insulin-like growth factor-1 receptor (IGF-1R);BMC Chemistry;2024-06-13

5. Depicted simulation model for removal of second-generation antipsychotic drugs adsorbed on Zn-MOF: adsorption locator assessment;Journal of Molecular Modeling;2024-03-16