[HTML][HTML] Investigation of in silico studies for cytochrome P450 isoforms specificity
Y Wei, L Palazzolo, OB Mariem, D Bianchi… - Computational and …, 2024 - Elsevier
Abstract Cytochrome P450 (CYP450) enzymes comprise a highly diverse superfamily of
heme-thiolate proteins that responsible for catalyzing over 90% of enzymatic reactions …
heme-thiolate proteins that responsible for catalyzing over 90% of enzymatic reactions …
Glucuronidation of orally administered drugs and the value of nanocarriers in strategies for its overcome
L Hervieu, AC Groo, J Bellien, D Guerrot… - Pharmacology & …, 2024 - Elsevier
The gastrointestinal tract (GIT) plays a pivotal role in the absorption of orally administered
drugs, with the small intestine serving as the primary site due to its extensive surface area …
drugs, with the small intestine serving as the primary site due to its extensive surface area …
Effect of Lipid Bilayer Anchoring on the Conformational Properties of the Cytochrome P450 2D6 Binding Site
O Guvench - The Journal of Physical Chemistry B, 2024 - ACS Publications
Human cytochrome P450 (CYP) proteins metabolize 75% of small-molecule
pharmaceuticals, which makes structure-based modeling of CYP metabolism and inhibition …
pharmaceuticals, which makes structure-based modeling of CYP metabolism and inhibition …
Fitness effects of synthetic and natural diet preservatives on the edible insect Bombyx mori
X Lei, Z Qian, X Zhu, N Zhang, J He, J Xiao… - npj Science of …, 2024 - nature.com
Silkworm pupae as widely consumed insect products are good biosources of protein and
micronutrients. Silkworm rearing throughout the year can be achieved by feeding them an …
micronutrients. Silkworm rearing throughout the year can be achieved by feeding them an …
Water Exchange from the Buried Binding Sites of Cytochrome P450 Enzymes 1A2, 2D6, and 3A4 Correlates with Conformational Fluctuations
O Guvench - Molecules, 2024 - mdpi.com
Human cytochrome P450 enzymes (CYPs) are critical for the metabolism of small-molecule
pharmaceuticals (drugs). As such, the prediction of drug metabolism by and drug inhibition …
pharmaceuticals (drugs). As such, the prediction of drug metabolism by and drug inhibition …
Improved and Interpretable Prediction of Cytochrome P450-Mediated Metabolism by Molecule-Level Graph Modeling and Subgraph Information Bottlenecks
Y Li, QW Xu, GL Jian, XL Zhang… - Journal of Chemical …, 2024 - ACS Publications
Accurately identifying sites of metabolism (SoM) mediated by cytochrome P450 (CYP)
enzymes, which are responsible for drug metabolism in the body, is critical in the early stage …
enzymes, which are responsible for drug metabolism in the body, is critical in the early stage …
Exploration of Rutin Derivatives as Potential Inhibitors of Prostate Cancer Signaling Pathways: A Comprehensive In-Silico Study
S Modanwal, A Mishra, N Mishra - Biochemical and Biophysical Research …, 2024 - Elsevier
Prostate cancer is a widespread health issue that affects men worldwide. It is one of the most
common forms of cancer, and its development is influenced by a combination of hereditary …
common forms of cancer, and its development is influenced by a combination of hereditary …
Predicting Metabolic Reactions with a Molecular Transformer for Drug Design Optimization
Metabolism prediction is a crucial step of drug development, as the biotransformations a
drug candidate undergoes inside the human body can affect the clinical outcome. Computer …
drug candidate undergoes inside the human body can affect the clinical outcome. Computer …
[PDF][PDF] EXPLORATION OF THE ACTIVE COMPOUNDS OF MORINGA OLEIFERA LAM AS HIV-1 REVERSE TRANSCRIPTASE INHIBITOR: A NETWORK …
M FITRIANA, A MUN'IM, WA FIRDAYANI - Int J App Pharm, 2024 - academia.edu
Objective: This study aims to predict the active compound of Moringa oleifera for the
treatment of Human Immunodeficiency Virus (HIV), specifically targeting the HIV-1 reverse …
treatment of Human Immunodeficiency Virus (HIV), specifically targeting the HIV-1 reverse …
Metabolic stability of a hydrazone derivative: N′-[(4-chlorophenyl) methylidene)]-4-[(4-methylphenyl) sulfonyloxy] benzohydrazide
Metabolic stability, a key parameter in drug development, refers to a drug substance's
resistance to metabolism. The failure rate can be significantly reduced by conducting …
resistance to metabolism. The failure rate can be significantly reduced by conducting …