Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy …

H Inac, M Ashfaq, N Dege, M Feizi-Dehnayebi… - Journal of Molecular …, 2024 - Elsevier
The current work describes the synthesis, characterization, and theoretical investigation of a
copper complex with a hydroxy functionalized Schiff base ligand. The complex [Cu (DHBEE) …

Oxicams as Bioactive Ligand System in Coordination Complexes and Their Biological Applications

M Naeem, A Ashraf, M Imran, WA Siddiqui… - Comments on …, 2024 - Taylor & Francis
Oxicam is a class of non-steroidal anti-inflammatory drugs (NSAIDs) that exhibits structural
similarities to the enolic acid of 4-hydroxy-1, 2-benzothiazine carboxamides. The oxicam …

Structure elucidation {single X-ray crystal diffraction studies, Hirshfeld surface analysis, DFT} and antibacterial studies of sulfonamide functionalized Schiff base …

WA Siddiqui, MA Raza, A Ashraf, M Ashfaq… - Journal of Molecular …, 2024 - Elsevier
Microbial infections tremendously affect the human health and can be cured by antimicrobial
agents. In this regard, the copper and zinc complexes of a sulfonamide functionalized Schiff …

ONO-pincer Zn (II) & Cd (II) complexes: Synthesis, structural characterization, Hirshfeld surface analysis and CT-DNA interactions

S Masood, M Jamshaid, MN Zafar, EU Mughal… - Journal of Molecular …, 2024 - Elsevier
Four new ONO pincer complexes of type Na 2 [Cd (L′)(OAc) 2](2a), Na 2 [Zn (L)(OAc)
2](3a),[Zn (L Me)(OAc) 2](4a) and [Cd (L Me)(OAc) 2](4b), where L′= N, N'-bis (4 …

Polymorphs of Substituted p-Toluenesulfonanilide: Synthesis, Single-Crystal Analysis, Hirshfeld Surface Exploration, and Theoretical Investigation

M Riaz, A Ali, M Ashfaq, M Ibrahim, N Akram… - ACS …, 2023 - ACS Publications
Polymorphism is an exciting feature of chemical systems where a compound can exist in
different crystal forms. The present investigation is focused on the two polymorphic forms …

Schiff base derived Mn (II) and Cd (II) novel complexes for catalytic and antioxidant applications

UU Janjua, M Pervaiz, F Ali, A Saleem, A Ashraf… - Inorganic Chemistry …, 2023 - Elsevier
Schiff bases and their metal complexes have shown a wide range of industrial as well as
biological applications. Herein, ligand EN'-(1-(2-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl) …

Synthesis, single crystal XRD, in-vitro, and in-silico studies of polysubstituted tetrahydropyridine as α-amylase inhibitor

S Latif, BA Khan, S Yousaf, M Ashfaq… - Journal of Molecular …, 2024 - Elsevier
The inhibition of α-amylase, an enzyme responsible for the breakdown of starch, has gained
opulent attention as a therapeutic target for managing conditions such as diabetes and …

Structure elucidation {single X-ray crystal diffraction studies, Hirshfeld surface analysis, DFT} and antibacterial studies of 1, 2-benzothiazine metal complexes

US Ali, WA Siddiqui, A Ashraf, MA Raza… - Journal of Molecular …, 2024 - Elsevier
Abstract The 2-benzyl-4‑hydroxy-1, 1-dioxo-1, 2-benzothiazine-3-carboxylic acid methyl
ester ie, ligand 1 was utilized to synthesize Mn (II) 2, Co (II) 3, Ni (II) 4, Cu (II) 5 and Zn (II) 6 …

[HTML][HTML] Synthesis of dimeric 1, 2-benzothiazine 1, 1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies

M Fatima, WA Siddiqui, MI Choudhary, A Ashraf… - RSC …, 2024 - pubs.rsc.org
1, 2-Benzothiazines are bioactive compounds with diverse pharmacological properties. We
report here the synthesis of a series of dimers containing 1, 2-benzothiazine scaffolds as …

Piroxicam analogue metal complexes: Synthesis, crystal structures, molecular modeling and biological studies

S Zainab, A Ashraf, WA Siddiqui… - Applied …, 2024 - Wiley Online Library
In recent decades, metal‐based drugs have gained considerable attention all over the world
because of their enhanced therapeutic potential. The piroxicam analogue, that is, 2‐Benzyl …