Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives
MAF Mohamed, I Benjamin, GA Okon… - Journal of …, 2023 - Taylor & Francis
Owing to the significant gap in the knowledge and understanding of the mechanisms of
antimicrobial action and the development of resistance, the optimization of antimicrobial …
antimicrobial action and the development of resistance, the optimization of antimicrobial …
Profiling the structural determinants of pyrrolidine derivative as gelatinases (MMP-2 and MMP-9) inhibitors using in silico approaches
Quantitative structure activity relationship (QSAR) studies on pyrrolidine derivatives have
been established using CoMFA, CoMSIA, and Hologram QSAR analysis to estimate the …
been established using CoMFA, CoMSIA, and Hologram QSAR analysis to estimate the …
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 …
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 …
Polypyridyl coordinated Re (I) complexes for human tenascin-C (TNC) as an antibreast cancer agent: an intuition from molecular modeling and simulations
L Moherane, H Louis, EE Ekereke… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Breast cancer continues to be the biggest cause of mortality for women worldwide, taking the
lives of millions each year. As a result, scientists are now exploring the possibility of metal …
lives of millions each year. As a result, scientists are now exploring the possibility of metal …
Dalbergia sissoo phytochemicals as EGFR inhibitors: an in vitro and in silico approach
HN Naik, D Kanjariya, S Parveen, A Meena… - Journal of …, 2024 - Taylor & Francis
The safest and most effective sources of medications are natural and traditional medicines
derived from plants and herbs. In Western India, various parts of the Dalbergia sissoo plant …
derived from plants and herbs. In Western India, various parts of the Dalbergia sissoo plant …
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 …
2, 2′, 3, 3′-tetrahydroneoprzewaquinone A (THNPQ A) as a potential anti-inflammatory …
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 …
Isolation, vibrational analysis, quantum chemical studies, nature of bonding, and molecular docking studies of triterpenoid isolates from Ganoderma lucidum as potent …
Abstract The bacteria Salmonella Typhi is the source of the dangerous and perhaps fatal
disease known as typhoid fever. Typhoid fever treatment is difficult despite the availability of …
disease known as typhoid fever. Typhoid fever treatment is difficult despite the availability of …