An Investigation on the Molecular Structure, Anti-Inflammatory Ability of (E) -3-(3-Chlorophenyl)- N-(4-Hydroxy-3-Methoxy Benzyl) Acryl Amide: DFT Calculations and Docking Simulations-Reference-Cited by-同舟云学术

An Investigation on the Molecular Structure, Anti-Inflammatory Ability of (E) -3-(3-Chlorophenyl)- N-(4-Hydroxy-3-Methoxy Benzyl) Acryl Amide: DFT Calculations and Docking Simulations

Published:2023-06-29 Issue: Volume: Page:1-21
ISSN:1040-6638
Container-title:Polycyclic Aromatic Compounds
language:en
Short-container-title:Polycyclic Aromatic Compounds

Author:

G. P. Sheeja Mol¹^ORCID,Dhas Arul²,Joe I. Hubert³^ORCID,Nadh Anuroopa G.⁴

Affiliation:

1. PG Department of Physics, St. Joseph’s College for Women, University of Kerala, Thiruvananthapuram, India

2. Department of Physics & Research Centre, Nesamony Memorial Christian College, Tamil Nadu, India

3. Department of Physics, University of Kerala, Kariavattom, Thiruvananthapuram, Kerala, India

4. Department of Computational biology & Bioinformatics, University of Kerala, Kariavattom, Kerala, India

Publisher

Informa UK Limited

Subject

Materials Chemistry,Organic Chemistry,Polymers and Plastics

Link

https://www.tandfonline.com/doi/pdf/10.1080/10406638.2023.2228452

Reference54 articles.

1. Capsaicin

2. Probing the Molecular and Electronic Structure of Capsaicin: A Spectroscopic and Quantum Mechanical Study

3. Structural studies of two capsaicinoids: dihydrocapsaicin and nonivamide. 13C and 15N MAS NMR supported by genetic algorithm and GIAO DFT calculations

4. Determination of the molecular structure and spectroscopic properties of capsaicin

Cited by 4 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. Evaluation of Novel Hydrazone‐Imide Hybrid Compound as HNE Inhibitor In Silico: Synthesis, XRD and DFT Analysis;ChemistrySelect;2024-08-14

2. Modeling the structural and reactivity properties of capsaicin [(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide] wavefunction-dependent properties, pharmacokinetics, in-silico analysis, and molecular dynamics simulation;Journal of Molecular Structure;2024-05

3. DFT/TDDFT calculations of geometry optimization, electronic structure and spectral properties of clevudine and telbivudine for treatment of chronic hepatitis B;Scientific Reports;2024-04-08

4. Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor investigations of 2-(trifluoromethyl)benzimidazole: A promising candidate for antitumor pharmacotherapy;Journal of Molecular Liquids;2024-01