[HTML][HTML] Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol …

EA Adindu, OC Godfrey, EI Agwupuye… - Chemical Physics …, 2023 - Elsevier
The profound impact of health challenges related to libido, encompassing sexual
dysfunction, hormonal imbalances, relationship difficulties, stress, anxiety, depression, and …

[HTML][HTML] Investigating the potential of thiazolyl carbohydrazides derivatives as anti-Candida albicans agents: an intuition from molecular modelling, pharmacokinetic …

I Benjamin, CU Benson, SA Adalikwu, FA Nduoma… - Chemical Physics …, 2023 - Elsevier
With increasing incidences of antifungal resistance, biofilm formation, and its predilection for
vulnerable populations, Candida albicans have been reported to cause a wide range of …

Spectroscopic characterization, polar solvation effects, DFT studies, and the antiviral inhibitory potency of a novel terpolymer based on p-Phenylenediamine …

N Mujafarkani, MA Ojong, AJ Ahamed… - Journal of Molecular …, 2023 - Elsevier
This study articulates the synthesis, spectroscopic characterization, solvation effects,
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …

[HTML][HTML] Synthesis, characterization, and molecular modeling of phenylenediamine-phenylhydrazine-formaldehyde terpolymer (PPHF) as potent anti-inflammatory …

N Mujafarkani, V Bassey, JJ Tokono, AJ Ahamed… - Heliyon, 2023 - cell.com
Inflammation, a characteristic physiological response to infections and tissue damage,
commences with processes involving tissue repair and pathogen elimination, contributing to …

[HTML][HTML] Unveiling a novel terpolymer-metal complex: A detailed exploration of synthesis, characterization, and its potential as an antimicrobial and antioxidant agent

N Mujafarkani, FMM Ahamed, KS Babu, S Debnath… - Heliyon, 2023 - cell.com
In an innovative approach to push the boundaries of antimicrobial and antioxidant
strategies, we present the synthesis and characterization of a novel terpolymer derived from …

High-throughput virtual screening of phenylpyrimidine derivatives as selective JAK3 antagonists using computational methods

A Faris, IM Ibrahim, H Hadni… - Journal of Biomolecular …, 2023 - Taylor & Francis
In this study, we used phenylpyrimidine derivatives with known biological activity against
JAK3, a critical tyrosine kinase enzyme involved in signaling pathways, to find similar …

Reactivity and structural investigation of tetrahydroneoprzewaquinone a as an anti-inflammatory agent: an experimental and molecular modeling perspective

EU Ejiofor, RU Ukpanukpong… - Polycyclic Aromatic …, 2023 - Taylor & Francis
This intriguing study aimed to explore the reactivity and structural investigation of (3R, 3′ R)-
2, 2′, 3, 3′-tetrahydroneoprzewaquinone A (THNPQ A) as a potential anti-inflammatory …

[HTML][HTML] Geometry optimization, impact of solvation on the spectral (FT-IR, UV, NMR) analysis, Quantum chemical parameters, and the bioactivity of feruloyltyramine as …

AE Eyo, GA Obadiah, I Benjamin, UO Edet… - Chemical Physics …, 2023 - Elsevier
The unrelenting menace of the Lassa virus, characterized by its high mortality rate and the
potential for global dissemination, underscores an urgent call for its comprehensive …

Investigating the antimicrobial and anti-inflammatory activities of novel thiophene derivatives by in-vitro studies, molecular docking, spectral analysis, and quantum …

MAF Mohamed, N Roy, I Benjamin, SW Joo… - Journal of Molecular …, 2024 - Elsevier
The rise of antibiotic-resistant pathogens and the widespread occurrence of inflammatory
diseases have raised considerable global health concerns. Consequently, there is a critical …

Exploring the Potential of Compounds Isolated from Laranthus micranthus for the Treatment of Benign Prostatic Hyperplasia: Comprehensive Studies on …

RU Ukpanukpong, AE Azubuike, EI Agwupuye… - Chemistry Africa, 2024 - Springer
Owing to the significant challenges encountered in the diagnosis, management, and
treatment of benign prostatic hyperplasia (BPH), which have emerged as essential clinical …