Theoretical and experimental investigation on newly synthesized Pyrazolopyridine derivatives: Insight into the compound activity, NLO response, and molecular dynamics DOI
Youness El Bakri, Shaaban K. Mohamed, S. Karthikeyan

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140139 - 140139

Published: Sept. 1, 2024

Language: Английский

Crystal Structure, Hirshfeld Surface Analysis, Computational Study and Molecular Docking Simulation of 4-Aminoantipyrine Derivative DOI
Muhammad Nawaz Tahir, Muhammad Ashfaq, Mehran Feizi‐Dehnayebi

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1320, P. 139747 - 139747

Published: Aug. 23, 2024

Language: Английский

Citations

26
DFT Computation-Assisted Design and synthesis of trisodium nickel triphosphate: Crystal Structure, Vibrational study, DFT Computation, Electronic Properties and Application in Wastewater Purification DOI

Mohammed Zerrouk,

Mohammed Er-rajy, Khalil Azzaoui

et al.

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141450 - 141450

Published: Jan. 1, 2025

Language: Английский

Citations

2
Single Crystal XRD, Hirshfeld Surface Analysis and Computational Approach for Exploration of Novel Xanthene Derivative DOI
Youness El Bakri, М. М. Курбанова, Atazaz Ahsin

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1321, P. 139896 - 139896

Published: Sept. 4, 2024

Language: Английский

Citations

9
Synthesis, single crystal investigations, and quantum computational investigation of a new 1,1′-(3,5-dhydroxy-3-methyl-2′-nitro-1,2,3,4-tetrahydro-[1,1′-biphenyl]-2,6-diyl)bis(ethan-1-one) as a potent inhibitor for Cytochrome P450 3A4 DOI
Shaaban K. Mohamed, Chin‐Hung Lai, S. Karthikeyan

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1315, P. 138895 - 138895

Published: June 6, 2024

Language: Английский

Citations

1
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 DOI
Youness El Bakri, Sabir Ali Siddique, Shaaban K. Mohamed

et al.

New Journal of Chemistry, Journal Year: 2024, Volume and Issue: 48(28), P. 12591 - 12608

Published: Jan. 1, 2024

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

Language: Английский

Citations

1
Theoretical and experimental investigation on newly synthesized Pyrazolopyridine derivatives: Insight into the compound activity, NLO response, and molecular dynamics DOI
Youness El Bakri, Shaaban K. Mohamed, S. Karthikeyan

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 140139 - 140139

Published: Sept. 1, 2024

Language: Английский

Citations

1