Modulation of immunity by tryptophan microbial metabolites

S Li - Frontiers in Nutrition, 2023 - frontiersin.org
Tryptophan (Trp) is an essential amino acid that can be metabolized via endogenous and
exogenous pathways, including the Kynurenine Pathway, the 5-Hydroxyindole Pathway …

Spectral investigation, TD-DFT study, Hirshfeld surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5 …

N Boukabcha, A Benmohammed… - Journal of Molecular …, 2023 - Elsevier
In a previous study, the 1-(4-fluorobenzyl)-5-bromolindolin-2, 3‑dione (FBID) molecule was
synthesized by adding isatin and K 2 CO 3 to acetonitrile, followed by the addition of 4 …

RETRACTED: Application of biosensors in cancers, an overview

S Quazi - Frontiers in Bioengineering and Biotechnology, 2023 - frontiersin.org
The deadliest disease in the world, cancer, kills many people every year. The early detection
is the only hope for the survival of malignant cancer patients. As a result, in the preliminary …

Targeting potential receptor molecules in non-small cell lung cancer (NSCLC) using in silico approaches

C Kirubhanand, J Merciline Leonora… - Frontiers in Molecular …, 2023 - frontiersin.org
Introduction: Non-Small Cell Lung Cancer is the most prevalent type of cancer in lung
cancer. Chemotherapy, radiation therapy, and other conventional cancer treatments have a …

Computational and experimental characterisation of a new (R)-camphor-Thiazolidinone derivative: A combined approach for structure optimisation and activity …

SJ Koyambo-Konzapa, MH Geesi, A Oubella… - Journal of Molecular …, 2024 - Elsevier
This study describes the synthesis, characterisation, in-silico exploration, and theoretical
investigation of a novel 5-Methyl-2-(((1S, 4R)-1, 7, 7-trimethylbicyclo [2.2. 1] heptan-2 …

Virtual screening, molecular docking, molecular dynamics and quantum chemical studies on (2-methoxy-4-prop-2-enylphenyl) N-(2-methoxy-4-nitrophenyl) …

T Rajesh Kumar, R Premkumar… - Journal of …, 2023 - Taylor & Francis
HDAC protein is associated with hepatocellular carcinoma. Different medicinal plants were
selected for this study to analyze the inhibitory efficacy against the target protein, HDAC …

[HTML][HTML] Peculiarities of the spatial and electronic structure of 2-aryl-1, 2, 3-triazol-5-carboxylic acids and their salts on the basis of spectral studies and DFT …

M Alcolea Palafox, NP Belskaya… - International journal of …, 2023 - mdpi.com
The molecular structure and vibrational spectra of six 1, 2, 3-triazoles-containing molecules
with possible anticancer activity were investigated. For two of them, the optimized geometry …

Electronic, spectroscopic, molecular docking and molecular dynamics studies of neutral and zwitterionic forms of 3, 4-dihydroxy-l-phenylalanine: A novel lung cancer …

SJ Koyambo-Konzapa, R Premkumar… - Journal of Molecular …, 2022 - Elsevier
Abstract The 3, 4-dihydroxy-l-phenylalanine (L-DOPA) is used as an effective drug for the
treatment of Parkinson's disease and also used as a precursor of many alkaloids. In the …

[HTML][HTML] Study of the Molecular Architectures of 2-(4-Chlorophenyl)-5-(pyrrolidin-1-yl)-2H-1,2,3-triazole-4-carboxylic Acid Using Their Vibrational Spectra, Quantum …

MA Palafox, NP Belskaya, IP Kostova - Pharmaceutics, 2023 - mdpi.com
1, 2, 3-triazole skeleton is a valuable building block for the discovery of new promising
anticancer agents. In the present work, the molecular structure of the synthesized anticancer …

DFT calculation and molecular docking studies of designing quinoline-derived anti-Alzheimer agents with NLO response

A Jamal, H Ferjani, MSH Faizi, AYA Alzahrani - Journal of the Indian …, 2024 - Elsevier
In the recent decade, the invention and design of novel molecules with nonlinear optical
responses have become an enticing prospect for advancing optoelectronic and photonic …