Structure‐based Virtual Screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates α‐amylase inhibitors

O Abchir, I Yamari, H Nour, O Daoui… - …, 2023 - Wiley Online Library
Current treatments for diabetes mellitus are ineffective, as evidenced by the rise in diabetes
cases. This has forced researchers to develop novel chemicals as drugs to block the …

The Synergistic Influence of Polyflavonoids from Citrus aurantifolia on Diabetes Treatment and Their Modulation of the PI3K/AKT/FOXO1 Signaling Pathways …

MA Hassan, GMA Elmageed, IG El-Qazaz… - Pharmaceutics, 2023 - mdpi.com
This study was aimed at probing the modulatory influence of polyflavonoids extracted from
Citrus aurantifolia, lemon peel extract (LPE-polyflavonoids), on attenuating diabetes mellitus …

Genotoxic effects and mitosis aberrations of chromium (VI) on root cells of Vicia faba and its molecular docking analysis

M Bouhadi, O Abchir, I Yamari, AEH El Youbi… - Plant Physiology and …, 2024 - Elsevier
Like other heavy metals, Cr (VI) is a powerful carcinogen and mutagen agent. Its toxic effects
on plants are well considered. In order to elucidate its adverse effects, the present work aims …

[HTML][HTML] The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular …

I Yamari, O Abchir, F Siddique, H Zaki, A Errougui… - Scientific African, 2024 - Elsevier
Lippia Alba, a plant commonly utilized in traditional folk medicine, particularly in Brazil, is
renowned for its essential oil possessing anti-inflammatory, antibacterial, anesthetic, and …

Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents

A Arzine, O Abchir, M Chalkha, K Chebbac… - … Biology and Chemistry, 2024 - Elsevier
A series of new isoxazolederivatives incorporating the sulfonate ester function has been
synthesized from 2-benzylidenebenzofuran-3 (2 H)-one, known as aurone. The synthesis of …

Surface enhanced Raman scattering investigation of tecovirimat on silver, gold and platinum loaded silica nanocomposites: Theoretical analysis (DFT) and molecular …

GF Nivetha, V Vetrivelan, M Govindammal, S Muthu… - Heliyon, 2023 - cell.com
As of today, there have been 612 million confirmed cases of coronavirus disease (COVID-
19) around the world, with over 6 million fatalities. Tecovirimat (TPOXX) is an anti-viral drug …

Design, synthesis and anti-hyperglycemic assessments of novel 5-benzylidenethiazolidine-2, 4-dione derivatives as PPAR-γ agonist

A Ali, A Ali, V Asati, S Kaya, MJ Ahsan - Journal of the Indian Chemical …, 2023 - Elsevier
The treatment of diabetes mellitus still relies predominantly on peroxisome proliferator-
activated receptor-γ (PPAR-γ) therapy, known for its effectiveness. In this present study, a …

[HTML][HTML] Imidazo [1, 2-a] pyridine-appended chalcone and Schiff base conjugates: Synthetic, spectrophotometric, biological, and computational aspects

SR Jadhav, SS Gurav, H Yasin, P Nagpal… - Chemical Physics …, 2024 - Elsevier
Abstract Herein we describe 2-chloroimidazo [1, 2-a] pyridine-appended Schiff base and
chalcone conjugates, exploring their synthetic, spectrophotometric, biological, and …

[HTML][HTML] Computational Insight of Oleracone L, Portulacatone B, and Portulacatal from Portulaca oleracea L. as Potential Anticholinesterase Inhibitors for Alzheimer's

SO Alshammari - Processes, 2024 - mdpi.com
Alzheimer's disease, characterized by a decline in cognitive functions, is frequently
associated with decreased levels of acetylcholine due to the overactivity of …

[HTML][HTML] Studies on chlorophenyl, thiophenyl, and biphenyl clubbed tetrahydro bipyrazole carbaldehydes: Synthesis, antimicrobial and antioxidant activity, SAR study …

N Kumar, H Yasin, S Sharma, SN Mali, SS Gurav - Chemical Physics …, 2024 - Elsevier
A library of chlorophenyl, thiophenyl, and biphenyl clubbed 3′, 4, 4′, 5-tetrahydro-2′ H-
[1, 3′-bipyrazole]-2′-carbaldehydes was produced via aldolic condensation followed by …