Synthesis, investigation of the crystal structure, DFT calculations, and <i>in silico</i> medicinal potential of hydrazono- and aminomethylene substituted pyrazolidine-3,5-diones as potential anticancer scaffolds-Reference-Cited by-同舟云学术

Synthesis, investigation of the crystal structure, DFT calculations, and in silico medicinal potential of hydrazono- and aminomethylene substituted pyrazolidine-3,5-diones as potential anticancer scaffolds

Published:2024 Issue:28 Volume:48 Page:12591-12608
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

El Bakri Youness¹^ORCID,Siddique Sabir Ali²^ORCID,Mohamed Shaaban K.³⁴,Sarfraz Muhammad²^ORCID,Abuelizz Hatem A.⁵^ORCID,Al-Salahi Rashad⁵^ORCID,Mague Joel T.⁶^ORCID,Ahmed Eman A.⁷

Affiliation:

1. Department of Theoretical and Applied Chemistry, South Ural State University, Lenin prospect 76, Chelyabinsk, 454080, Russian Federation

2. Institute of Chemistry, The Islamia University of Bahawalpur, Baghdad-ul-Jadeed Campus, Bahawalpur, 63100, Pakistan

3. Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England, UK

4. Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt

5. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia

6. Department of Chemistry, Tulane University, New Orleans, LA 70118, USA

7. Chemistry Department, Faculty of Science, Sohag University, 82524 Sohag, Egypt

Abstract

Two new pyrazolidine-3,5-dione derivatives were synthesized and their structures were elucidated by single-crystal X-ray analysis. The molecules were screened for their medicinal potential based on physiochemical and pharmacokinetics.

Funder

King Saud University

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NJ/D4NJ01839G

Reference71 articles.

1. Novel 1,3‐diphenyl‐4‐(N,N‐dimethylimido dicarbonimidic diamide azo)‐5‐pyrazolone and its chelates with manganese, nickel, copper, and zinc divalent metal ions as an antibacterial activity supported by molecular docking studies: Design, synthesis, DFT, and TD‐DFT/PCM calculations

2. Design, Synthesis, Spectroscopic Studies, DFT, TD-DFT/PCM Calculations, and Molecular Docking Studies on the anti-SARS and anti-COVID-19 Activities of Novel Benzidine Bis Azo 1-(2-Hydroxy-3-Naphthoic Acid) Complexes with Some Transition Metal Ions

3. Novel Fluorescent Benzothiazolyl-Coumarin Hybrids as Anti-SARS-COVID-2 Agents Supported by Molecular Docking Studies: Design, Synthesis, X-ray Crystal Structures, DFT, and TD-DFT/PCM Calculations