[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 …

Antimicrobial activity of guanidine-based terpolymers: Synthesis, Spectroscopy (FT-IR, 1H, and 13C NMR), Quantum chemical investigation, and molecular docking

N Mujafarkani, DC Agurokpon, RA Hussien… - Journal of Molecular …, 2024 - Elsevier
This study presents a comprehensive assessment of the antimicrobial efficacy of a
Guanidine-Based Terpolymer (DGF) utilizing a blend of experimental and theoretical …

Derivative of aminoresin as potent anti-virulence agent: Synthesis, spectral (FT-IR, UV, NMR) analysis, molecular docking, effect of polar solvation dynamics, and …

CB Ubah, N Mujafarkani, A Sundaravadivelu… - Journal of Molecular …, 2024 - Elsevier
This work undertakes a comprehensive study encompassing the synthesis, spectral
characterization (FT-IR, UV, 1H NMR, 13Csingle bondNMR), exploration of polar solvation …

Illicium verum L. (Star Anise) Essential Oil: GC/MS Profile, Molecular Docking Study, In Silico ADME Profiling, Quorum Sensing, and Biofilm-Inhibiting Effect on …

E Noumi, I Ahmad, M Adnan, H Patel, A Merghni… - Molecules, 2023 - mdpi.com
Illicium verum, or star anise, has many uses ranging from culinary to religious. It has been
used in the food industry since ancient times. The main purpose of this study was to …

[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 …

In Silico Design, Synthesis, and Evaluation of Novel Enantiopure Isoxazolidines as Promising Dual Inhibitors of α-Amylase and α-Glucosidase

F Alhawday, F Alminderej, S Ghannay, B Hammami… - Molecules, 2024 - mdpi.com
Isoxazolidine derivatives were designed, synthesized, and characterized using different
spectroscopic techniques and elemental analysis and then evaluated for their ability to …

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 …

α-Amylase and mycobacterium-TB H37Rv antagonistic efficacy of novel pyrazole-coumarin hybrids: an in vitro and in silico investigation

DC Kanjariya, HN Naik, MJ Sherashiya… - Journal of …, 2023 - Taylor & Francis
The present investigation of minutiae to acquire structural information of the novel pyrazole-
coumarin hybrids (PC1-PC10) synthesized using ultrasound methods and characterized …

LC–MS profiling, in vitro and in silico C-ABL kinase inhibitory approach to identify potential anticancer agents from Dalbergia sissoo leaves

HN Naik, D Kanjariya, S Parveen, I Ahmed, A Meena… - Scientific Reports, 2024 - nature.com
Belonging to the Fabaceae family, Dalbergia sissoo, a versatile plant, has gained
prominence for its potent medicinal attributes, especially antipyretic, anti-inflammatory, and …

Molecular structure, spectroscopy, molecular docking, and molecular dynamic studies of tetrahydroneoprzewaquinone as potent cervical cancer agent

AE Owen, EC Agwamba, ME Gideon… - Zeitschrift für …, 2024 - degruyter.com
Cervical cancer is one of the most prevalent cancer-related diseases, causing accelerated
morbidity and mortality rates in low-income countries and African states. This study explores …