Structural analysis and molecular docking study of pachypodostyflavone: A potent anti-onchocerca
BYG Mountessou, AW Ngouonpe, ASW Mbobda… - Journal of Molecular …, 2023 - Elsevier
In order to get a better insight into the intermolecular interactions in the solid state of the
naturally occurring flavone derivative, pachypodostyflavone, its single crystal X-ray …
naturally occurring flavone derivative, pachypodostyflavone, its single crystal X-ray …
Importance of solvents role in molecular and electronic properties, DFT, spectroscopic, electron-hole transition, chemical reactivity, topology and molecular docking …
A Cherif - Journal of Molecular Liquids, 2023 - Elsevier
The phenyl-substituted piperazine derivative molecule was taken into consideration in the
current investigation of the organic drug molecule (±)-2-(2-{4-[(4-chlorophenyl) …
current investigation of the organic drug molecule (±)-2-(2-{4-[(4-chlorophenyl) …
Synthesis, Characterization, Density Functional Theory, Monte Carlo, and Molecular Dynamics Simulations of [Ni(Ii)(Tpy)2] Metal Organic Framework and Congo Red …
Effluents from dyeing companies are a major polluter of the environment and water bodies.
An estimated 70 tons of dye are generated globally each year, with more than one-third of …
An estimated 70 tons of dye are generated globally each year, with more than one-third of …
Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and anti-cancer activities of (4-amino-6-(dimethylamino)-1, 3 …
Y Geng, X Bai, M Huang, D Kong, Y Chen… - Journal of Molecular …, 2024 - Elsevier
Triazine compounds have antitumor and other biological activities. In this paper, the title
compound was synthesized by cyclization and esterification from metformin hydrochloride …
compound was synthesized by cyclization and esterification from metformin hydrochloride …
Costunolide, an effective agent against oxidative damage, apoptosis and autophagy in the ovarian torsion/detorsion model
P Armin Akış, A Tanyeli̇… - … of Physiology and …, 2024 - Taylor & Francis
Aim This study assessed the efficacy of costunolide (COST) against oxidative tissue damage
in the ovarian torsion/detorsion (TD) model. Methodology Animals were randomly assigned …
in the ovarian torsion/detorsion (TD) model. Methodology Animals were randomly assigned …
Exploring the inhibitory action of betulinic acid on key digestive enzymes linked to diabetes via in vitro and computational models: approaches to anti-diabetic …
Phytochemicals are now increasingly exploited as remedial agents for the management of
diabetes due to side effects attributable to commercial antidiabetic agents. This study …
diabetes due to side effects attributable to commercial antidiabetic agents. This study …
Molecular structure, molecular docking, molecular dynamics simulation, and drug likeness evaluation of 3, 7-dihydroxy-1, 2-dimethoxyxanthone for its anticancer …
AO Oladimeji, BYG Mountessou, P Penta… - Journal of Molecular …, 2025 - Elsevier
A naturally occurring xanthone, named 3, 7-dihydroxy-1, 2-dimethoxyxanthone was
experimentally and computationally investigated for its anticancer activity. Single crystal X …
experimentally and computationally investigated for its anticancer activity. Single crystal X …
Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, biological activity studies, molecular docking investigation …
Y Gong, X Li, H Tang, Y Liu, S Wang, Y Geng - Journal of Molecular …, 2025 - Elsevier
In this paper, the title compound was synthesized by nucleophilic substitution and Schiff
base reaction from 4-Hydroxycoumarin as the starting material. 2-({1-[(3E)-2, 4-dioxo-3, 4 …
base reaction from 4-Hydroxycoumarin as the starting material. 2-({1-[(3E)-2, 4-dioxo-3, 4 …
Exploring the Potential of N‐Benzylidenebenzohydrazide Derivatives as Antidiabetic and Antioxidant Agents: Design, Synthesis, Spectroscopic, Crystal Structure …
Hydrazone‐type Schiff bases have been widely explored owing to their therapeutic
properties. These compounds are known to have antibacterial, antifungal, anticancer, and …
properties. These compounds are known to have antibacterial, antifungal, anticancer, and …
In Silico Study of Two Linear Furanocoumarins for Dual Inhibition of Human Rhinovirus and SARS‐CoV‐2
BYG Mountessou, MB Mbah, NT Wandji… - …, 2025 - Wiley Online Library
In the discovery of antiviral drugs, targeting the 3‐chymotrypsin‐like cysteine protease
(3CLpro) of the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is …
(3CLpro) of the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is …