Design and synthesis of novel 1, 2, 3-triazole linked hybrids: Molecular docking, MD simulation, and their antidiabetic efficacy as α-Amylase inhibitors

AR Zala, HN Naik, I Ahmad, H Patel, S Jauhari… - Journal of Molecular …, 2023 - Elsevier
Abstract Novel 1, 2, 3-triazole linked coumarin and cinnamic acid analogs were designed,
synthesized, characterized, and evaluated for their ability to inhibit the α-amylase enzyme in …

[HTML][HTML] Unraveling the molecular structure, spectroscopic properties, and antioxidant activities of new 2, 4-dinitrophenylhydrazone derivatives through a …

M Riaz, F Jan, A Khan, A Ullah, H Haq… - Arabian Journal of …, 2023 - Elsevier
The synthesis and characterization of novel 2, 4-dinitrophenylhydrazone (2, 4-DNPH)
derivatives were investigated using a comprehensive combination of experimental and …

[HTML][HTML] Greener pastures in evaluating antidiabetic drug for a quinoxaline Derivative: Synthesis, Characterization, Molecular Docking, in vitro and HSA/DFT/XRD …

M Missioui, S Mortada, W Guerrab, G Demirtaş… - Arabian Journal of …, 2022 - Elsevier
In an effort to develop a potent antidiabetic drug, new quinoxaline derivative, 2-(4-((3-methyl-
2-oxoquinoxalin-1 (2H)-yl) methyl)-4, 5-dihydro-1H-1, 2, 3-triazol-1-yl)-N-(p-tolyl) acetamide …

N, N'-bis (2-bromobenzylidene)-2, 2'-diaminodiphenyldisulfide (BBDD): Insights of crystal structure, DFT, QTAIM, PASS, ADMET and molecular docking studies

J Jayashankar, MK Hema, G Mahmoudi… - Journal of Molecular …, 2022 - Elsevier
In the present research work, a single crystal of N, N'-bis (2-bromobenzylidene)-2, 2′-
diaminodiphenyl disulfide (BBDD) is analyzed by S-XRD and computational technique. The …

2-(allylthio)-5-(5-phenyl-1H-pyrazol-3-yl)-1, 3, 4-oxadiazole: Synthesis, single crystal XRD, spectroscopic characterization, antidiabetic activity, DFT and ADMET …

IA El Hassani, SA Brandán, S Mortada, S Arshad… - Journal of Molecular …, 2024 - Elsevier
Here, we synthesized a new potent antidiabetic agent of pyrazolyl-1, 3, 4-oxadiazole
derivative, named 2-(allylthio)-5-(5-phenyl-1H-pyrazol-3-yl)-1, 3, 4-oxadiazole (ATPO) and …

Regulating pri/pre-microRNA up/down expressed in cancer proliferation, angiogenesis and metastasis using selected potent triterpenoids

A Mathur, A Singh, Y Hussain, A Mishra… - International Journal of …, 2024 - Elsevier
MicroRNAs (miRNAs) play a crucial role in cancer progression by selectively inducing
translational degradation of messenger RNA (mRNA) via sequence-specific interactions …

Synthesis, design, in silico, in vitro and in vivo (streptozotocin-induced diabetes in mice) biological evaluation of novels N-arylacetamide derivatives

S Mortada, W Guerrab, M Missioui, N Salhi… - Journal of …, 2024 - Taylor & Francis
The organic compounds 2-chloro-N-(aryl) acetamide (Ps13–Ps18) and 2-azido-N-(aryl)
acetamide (148–153) were synthesized and analyzed using 1 H, 13C NMR. The acute oral …

Assessing [DMAP-DABCO] AcO as an effective dual basic ionic liquid for the synthesis of chromeno [2, 3-d] pyrimidine derivatives and exploring their anti-cancer …

P Kharade, D Gaikwad, S Rathod, U Chougale… - Journal of Molecular …, 2024 - Elsevier
Here, we report the synthesis of a new dual basic ionic liquid viz. 1-[3-(dimethylamino)
propyl]-1, 4-diazabicyclo [2.2. 2] octan-1-ium acetate [DMAP-DABCO] AcO, and its use as a …

Discovery of novel dihydro-pyrimidine hybrids: insight into the design, synthesis, biological evaluation and absorption, distribution, metabolism and excretion studies

U Arshad, N Shafiq, S Parveen… - Future Medicinal …, 2024 - Taylor & Francis
Aim: By kee** in aspects, the pharmacological potential of heterocyclic compounds,
pyrimidine-based compounds were designed, synthesized and evaluated for α-amylase …