Cargando…

The use of quantum chemistry in the prediction of ADME-Tox properties

Detalles Bibliográficos
Autores principales:	Van Damme, S, Bultinck, P
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2008
Materias:	Poster Presentation
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4236287/ http://dx.doi.org/10.1186/1752-153X-2-S1-P16

Ejemplares similares

Prediction of ADME-Tox properties and toxicological endpoints of triazole fungicides used for cereals protection
por: Gridan, Ionuţ Mădălin, et al.
Publicado: (2019)

FAF-Drugs: free ADME/tox filtering of compound collections
por: Miteva, Maria A., et al.
Publicado: (2006)

Potential Therapeutic Approaches to Alzheimer’s Disease By Bioinformatics, Cheminformatics And Predicted Adme-Tox Tools
por: Avram, Speranta, et al.
Publicado: (2020)

In Silico ADME/Tox Profiling of Natural Products: A Focus on BIOFACQUIM
por: Durán-Iturbide, Noemi Angeles, et al.
Publicado: (2020)

Applications of the microphysiology systems database for experimental ADME-Tox and disease models
por: Schurdak, Mark, et al.
Publicado: (2020)

Comparison of Descriptor- and Fingerprint Sets in Machine Learning Models for ADME-Tox Targets
por: Orosz, Álmos, et al.
Publicado: (2022)

Virtual screening, ADME/Tox predictions and the drug repurposing concept for future use of old drugs against the COVID-19
por: Hage-Melim, Lorane Izabel da Silva, et al.
Publicado: (2020)

Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets
por: Clark, Alex M., et al.
Publicado: (2015)

Nitric oxide synthase 2-derived NO in endotoxemia is not sufficient to cause hemodynamic effects
por: Brouckaert, P, et al.
Publicado: (2008)

Molecular docking studies and ADME-Tox prediction of phytocompounds from Merremia peltata as a potential anti-alopecia treatment
por: Abdurrahman, Syawal, et al.
Publicado: (2021)

QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM”
por: Abdelaziz, Ahmed, et al.
Publicado: (2012)

3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents
por: Daoui, Ossama, et al.
Publicado: (2022)

Molecular Docking and ADME-TOX Profiling of Moringa oleifera Constituents against SARS-CoV-2
por: Souza, Hellen Cris Araújo, et al.
Publicado: (2023)

Practical implementation of an adaptive phase I/II design in chronic myeloid leukaemia: evaluating both efficacy and toxicity using the EffTox design
por: Khan, Josephine, et al.
Publicado: (2013)

FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects
por: Lagorce, David, et al.
Publicado: (2008)

Bioprinted 3D Primary Human Intestinal Tissues Model Aspects of Native Physiology and ADME/Tox Functions
por: Madden, Lauran R., et al.
Publicado: (2018)

In Vitro and In Silico ADME-Tox Profiling and Safety Significance of Multifunctional Monoamine Oxidase Inhibitors Targeting Neurodegenerative Diseases
por: Więckowska, Anna, et al.
Publicado: (2020)

In Vitro, Molecular Docking and In Silico ADME/Tox Studies of Emodin and Chrysophanol against Human Colorectal and Cervical Carcinoma
por: Ahmad, Wasim, et al.
Publicado: (2022)

QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties
por: El fadili, Mohamed, et al.
Publicado: (2023)

Variation in the Chemical Composition of Endemic Specimens of Hedychium coronarium J. Koenig from the Amazon and In Silico Investigation of the ADME/Tox Properties of the Major Compounds
por: Cruz, Jorddy Neves, et al.
Publicado: (2023)

3D-QSAR, Docking, ADME/Tox studies on Flavone analogs reveal anticancer activity through Tankyrase inhibition
por: Alam, Sarfaraz, et al.
Publicado: (2019)

Dipeptidyl peptidase IV inhibition of phytocompounds from Artocarpus champeden (Lour.) Stokes: In silico molecular docking study and ADME-Tox prediction approach
por: Supandi, Supandi, et al.
Publicado: (2022)

Computational investigation of unsaturated ketone derivatives as MAO-B inhibitors by using QSAR, ADME/Tox, molecular docking, and molecular dynamics simulations
por: EL AISSOUQ, Abdellah, et al.
Publicado: (2021)

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
por: Williams, Antony J., et al.
Publicado: (2017)

Cyclohexane-1,3-dione Derivatives as Future Therapeutic Agents for NSCLC: QSAR Modeling, In Silico ADME-Tox Properties, and Structure-Based Drug Designing Approach
por: Daoui, Ossama, et al.
Publicado: (2023)

Identification of novel antifungal agents: antimicrobial evaluation, SAR, ADME–Tox and molecular docking studies of a series of imidazole derivatives
por: Bouchal, Btissam, et al.
Publicado: (2019)

Greenness assessment of UPLC/MS/MS method for determination of two antihypertensive agents and their harmful impurities with ADME/TOX profile study
por: Nagieb, Hend M., et al.
Publicado: (2023)

ADME-Space: a new tool for medicinal chemists to explore ADME properties
por: Bocci, Giovanni, et al.
Publicado: (2017)

Bioinformatics analysis of adhesin-binding potential and ADME/Tox profile of anti-Helicobacter pylori peptides derived from wheat germ proteins()
por: Dang, Chi, et al.
Publicado: (2022)

Embedded infrastructure for primary data in chemistry
por: Grbavac, Igor, et al.
Publicado: (2010)

Pharmacological Characteristics of the Hydroethanolic Extract of Acmella oleracea (L) R. K. Jansen Flowers: ADME/Tox In Silico and In Vivo Antihypertensive and Chronic Toxicity Evaluation
por: Rodrigues, Emanuelle T., et al.
Publicado: (2023)

The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology
por: Richard, Ann M., et al.
Publicado: (2020)

ChEBI: a chemistry ontology and database
por: de Matos, Paula, et al.
Publicado: (2010)

Open access: changing the way chemistry is published
por: Kuras, Jan, et al.
Publicado: (2012)

A next-generation chemistry database cartridge
por: Ihlenfeldt, Wolf D
Publicado: (2013)

Expanding natural product chemistry resources at the EBI
por: Hastings, Janna, et al.
Publicado: (2013)

One-Pot Multicomponent Synthesis of Methoxybenzo[h]quinoline-3-carbonitrile Derivatives; Anti-Chagas, X-ray, and In Silico ADME/Tox Profiling Studies
por: Ramírez, Hegira, et al.
Publicado: (2021)

Promising Hybrids Derived from S-Allylcysteine and NSAIDs Fragments against Colorectal Cancer: Synthesis, In-vitro Evaluation, Drug-Likeness and In-silico ADME/tox Studies
por: Herrera-R, Angie, et al.
Publicado: (2021)

COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
por: Thormann, M, et al.
Publicado: (2008)

Use of quantum dots of sizes magic in biological systems
por: Deus, Samantha, et al.
Publicado: (2014)

Cannot write session to /tmp/vufind_sessions/sess_es8dk1s1t1phem32sfuuoc42nc