Pages that link to "Q73066262"
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The following pages link to A novel approach to predicting P450 mediated drug metabolism. CYP2D6 catalyzed N-dealkylation reactions and qualitative metabolite predictions using a combined protein and pharmacophore model for CYP2D6 (Q73066262):
Displaying 42 items.
- Crystal structure of human cytochrome P450 2D6 (Q24298673) (← links)
- Antihypertensive drugs metabolism: an update to pharmacokinetic profiles and computational approaches (Q26861570) (← links)
- Influence of phenylalanine-481 substitutions on the catalytic activity of cytochrome P450 2D6 (Q28361814) (← links)
- Comparative molecular field analysis and QSAR on substrates binding to cytochrome p450 2D6. (Q30311976) (← links)
- Utility of homology models in the drug discovery process. (Q30342415) (← links)
- The impact of informatics and computational chemistry on synthesis and screening (Q30755436) (← links)
- A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism (Q30760210) (← links)
- Selecting Relevant Descriptors for Classification by Bayesian Estimates: A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets (Q31118093) (← links)
- Probing small-molecule binding to cytochrome P450 2D6 and 2C9: An in silico protocol for generating toxicity alerts (Q33734781) (← links)
- Screening of drug candidates for their drug--drug interaction potential (Q34318051) (← links)
- Application of in silico approaches to predicting drug--drug interactions (Q34328654) (← links)
- Docking and scoring in virtual screening for drug discovery: methods and applications (Q34364227) (← links)
- Optimization of metabolic stability as a goal of modern drug design (Q34386836) (← links)
- Pharmacophore modeling of cytochromes P450. (Q34581558) (← links)
- Do drug metabolism and pharmacokinetic departments make any contribution to drug discovery? (Q34982105) (← links)
- New methods in predictive metabolism (Q35054089) (← links)
- Metabolic stability for drug discovery and development: pharmacokinetic and biochemical challenges (Q35148277) (← links)
- Pharmacophore-based discovery of ligands for drug transporters (Q35863214) (← links)
- Predicting undesirable drug interactions with promiscuous proteins in silico (Q35683437) (← links)
- Insights into drug metabolism by cytochromes P450 from modelling studies of CYP2D6-drug interactions. (Q36497020) (← links)
- Further Optimization and Evaluation of Bioavailable, Mixed-Efficacy μ-Opioid Receptor (MOR) Agonists/δ-Opioid Receptor (DOR) Antagonists: Balancing MOR and DOR Affinities. (Q36635468) (← links)
- Methods for predicting human drug metabolism (Q36716929) (← links)
- Modeling kinetics of subcellular disposition of chemicals. (Q37194304) (← links)
- Construction of Metabolism Prediction Models for CYP450 3A4, 2D6, and 2C9 Based on Microsomal Metabolic Reaction System (Q37377393) (← links)
- In silicosite of metabolism prediction of cytochrome P450-mediated biotransformations (Q37835282) (← links)
- Modeling of interactions between xenobiotics and cytochrome P450 (CYP) enzymes (Q38540503) (← links)
- Drug Metabolism in Preclinical Drug Development: A Survey of the Discovery Process, Toxicology, and Computational Tools (Q39182452) (← links)
- Ligand-Based Site of Metabolism Prediction for Cytochrome P450 2D6. (Q39736006) (← links)
- Utility of human/human-derived reagents in drug discovery and development: An industrial perspective (Q40323576) (← links)
- RS-predictor: a new tool for predicting sites of cytochrome P450-mediated metabolism applied to CYP 3A4. (Q42022954) (← links)
- Evaluation of designed ligands by a multiple screening method: application to glycogen phosphorylase inhibitors constructed with a variety of approaches (Q43786252) (← links)
- Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism (Q43892219) (← links)
- Residues glutamate 216 and aspartate 301 are key determinants of substrate specificity and product regioselectivity in cytochrome P450 2D6. (Q44226094) (← links)
- Influence of Lipophilicity on the Interactions ofN-Alkyl-4-phenyl-1,2,3,6-tetrahydropyridines and Their Positively Charged N-Alkyl-4-phenylpyridinium Metabolites with Cytochrome P450 2D6 (Q44403627) (← links)
- A new statistical approach to predicting aromatic hydroxylation sites. Comparison with model-based approaches (Q45156706) (← links)
- From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions. (Q47310883) (← links)
- Exposition and reactivity optimization to predict sites of metabolism in chemicals. (Q51162710) (← links)
- Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models (Q51899915) (← links)
- Linker Variation and Structure-Activity Relationship Analyses of Carboxylic Acid-based Small Molecule STAT3 Inhibitors. (Q52655071) (← links)
- Chemical proteomic tool for ligand mapping of CYP antitargets: an NMR-compatible 3D QSAR descriptor in the Heme-Based Coordinate System. (Q52965510) (← links)
- Integrating Crystallography into Early Metabolism Studies (Q58137100) (← links)
- New methods in predictive metabolism (Q78683448) (← links)