[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 …
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 …
theoretical calculations, and molecular docking analysis of a novel p-Phenylenediamine …
Antibacterial potential of trihydroxycyclohexa-2, 4-diene-1-carboxylic acid: Insight from DFT, molecular docking, and molecular dynamic simulation
Abstract In this study,(z)-5-((3-(2, 3-dihydroxyphenyl) acryloyl) oxy)-1, 3, 4-
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
trihydroxycyclohexa-2, 4-diene-1-carboxylic acid (chlorogenic acid) was isolated and …
[HTML][HTML] Antilymphoma activities of benzo bisthiazole derivative by molecular docking, impact of solvation, quantum chemical study, and spectroscopic (FT-IR, UV …
Lymphoma, a type of cancer that affects the lymphatic system—an essential element of the
body's immune defense—has captured increased interest from modern researchers. This …
body's immune defense—has captured increased interest from modern researchers. This …
[HTML][HTML] Impact of polar (DMSO, ethanol, water) solvation on geometry, spectroscopy (FT-IR, UV, NMR), quantum chemical parameters, and the antifungal activities of …
Due to their ubiquity and the rise of drug-resistant forms, Candida albicans infections pose a
serious threat to world health. Exploring new molecular possibilities is essential in order to …
serious threat to world health. Exploring new molecular possibilities is essential in order to …
Investigation of the Anti-Plasmodial Properties of N-2-Oxo Pyrrolidine Pentanamide-Based Sulfonamides: Experimental and Theoretical Approach
The study aimed to investigate novel pyrrolidine-pentanamide derivatives of sulfonamides
as potential anti-malaria agents through a comprehensive approach involving experimental …
as potential anti-malaria agents through a comprehensive approach involving experimental …
Natural Andrographolide Isolated from Andrographis paniculata as Potent Epileptic Agent: Spectroscopy, Molecular Structure, and Molecular Docking Investigation
In this study, a comparative experimental and theoretical investigation of the isolation,
characterization, and molecular electronic investigation of natural andrographolide is …
characterization, and molecular electronic investigation of natural andrographolide is …
Molecular simulation of Cu, Ag, and Au-decorated Molybdenum doped graphene nanoflakes as biosensor for carmustine, an anticancer drug
CM Chima, H Louis, D Charlie, A Imojara… - Materials Science in …, 2023 - Elsevier
This study delves into the fascinating realm of molybdenum-doped graphene (Mo@ GP)
complexes, featuring captivating adsorption sites for oxygen (O) and chlorine (Cl), adorned …
complexes, featuring captivating adsorption sites for oxygen (O) and chlorine (Cl), adorned …
Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): a potent …
A Ramalingam, S Sambandam, H Louis… - Journal of Molecular …, 2023 - Elsevier
In this present study, the possibility of using 2, 6-bis (4-chlorophenyl)-3-isopropylpiperidin-4-
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
one (BCIP) as an antiviral agent against HIV was carefully evaluated. In order to achieve …
Exploring the anticancer potential of sulfate-hydroxy-butanone derivatives: insights from experimental and quantum chemical investigations
Urinary incontinence and erectile dysfunction represent enduring adverse outcomes
resulting from prostate cancer, a leading cause of global mortality. Given this critical context …
resulting from prostate cancer, a leading cause of global mortality. Given this critical context …