Cargando…

In Vitro and In Silico ADME-Tox Profiling and Safety Significance of Multifunctional Monoamine Oxidase Inhibitors Targeting Neurodegenerative Diseases

[Image: see text] Herein we report in vitro metabolic stability in human liver microsomes (HLMs), interactions with cytochrome P450 isoenzymes (CYP3A4, CYP2D6, and CYP2C9), and cytotoxicity analyses on HEK-293, HepG2, Huh7, and WTIIB cell lines of our most recent multitarget directed ligands PF9601N...

Descripción completa

Detalles Bibliográficos
Autores principales:	Więckowska, Anna, Szałaj, Natalia, Góral, Izabella, Bucki, Adam, Latacz, Gniewomir, Kiec-Kononowicz, Katarzyna, Bautista-Aguilera, Òscar. M., Romero, Alejandro, Ramos, Eva, Egea, Javier, Farré Alíns, Victor, González-Rodríguez, Águeda, López-Muñoz, Francisco, Chioua, Mourad, Marco-Contelles, José
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7677930/ https://www.ncbi.nlm.nih.gov/pubmed/33143412 http://dx.doi.org/10.1021/acschemneuro.0c00489

Ejemplares similares

Serotonin 5-HT(6) Receptor Ligands and Butyrylcholinesterase Inhibitors Displaying Antioxidant Activity—Design, Synthesis and Biological Evaluation of Multifunctional Agents against Alzheimer’s Disease
por: Więckowski, Krzysztof, et al.
Publicado: (2022)

The Stereoselectivity and Hydrolysis Efficiency of Recombinant d-Hydantoinase from Vigna angularis Against 5-Benzylhydantoin Derivatives with Halogen and Methyl Substituents
por: Latacz, Gniewomir, et al.
Publicado: (2014)

Are the Hydantoin-1,3,5-triazine 5-HT(6)R Ligands a Hope to a Find New Procognitive and Anti-Obesity Drug? Considerations Based on Primary In Vivo Assays and ADME-Tox Profile In Vitro
por: Lubelska, Annamaria, et al.
Publicado: (2019)

Dual Target Ligands with 4-tert-Butylphenoxy Scaffold as Histamine H(3) Receptor Antagonists and Monoamine Oxidase B Inhibitors
por: Łażewska, Dorota, et al.
Publicado: (2020)

Multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer’s disease: design, synthesis, biochemical evaluation, ADMET, molecular modeling, and QSAR analysis of novel donepezil-pyridyl hybrids
por: Bautista-Aguilera, Oscar M, et al.
Publicado: (2014)

The use of quantum chemistry in the prediction of ADME-Tox properties
por: Van Damme, S, et al.
Publicado: (2008)

Salsolinol—neurotoxic or Neuroprotective?
por: Kurnik-Łucka, Magdalena, et al.
Publicado: (2019)

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

Non-imidazole-based histamine H3 receptor antagonists with anticonvulsant activity in different seizure models in male adult rats
por: Sadek, Bassem, et al.
Publicado: (2016)

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)

Study on the effect of EMD386088, a 5-HT(6) receptor partial agonist, in enhancing the anti-immobility action of some antidepressants in rats
por: Jastrzębska-Więsek, Magdalena, et al.
Publicado: (2017)

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

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

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

N-Hydroxy-N-Propargylamide Derivatives of Ferulic Acid: Inhibitors of Cholinesterases and Monoamine Oxidases
por: Bautista-Aguilera, Óscar M., et al.
Publicado: (2022)

Phenylpiperazine 5,5-Dimethylhydantoin Derivatives as First Synthetic Inhibitors of Msr(A) Efflux Pump in Staphylococcus epidermidis
por: Witek, Karolina, et al.
Publicado: (2020)

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)

Studies on Anticonvulsant Effects of Novel Histamine H3R Antagonists in Electrically and Chemically Induced Seizures in Rats
por: Alachkar, Alaa, et al.
Publicado: (2018)

Aspects of a Distinct Cytotoxicity of Selenium Salts and Organic Selenides in Living Cells with Possible Implications for Drug Design
por: Castellucci Estevam, Ethiene, et al.
Publicado: (2015)

Guanidines: Synthesis of Novel Histamine H(3)R Antagonists with Additional Breast Anticancer Activity and Cholinesterases Inhibitory Effect
por: Staszewski, Marek, et al.
Publicado: (2023)

Trisubstituted 1,3,5-Triazines as Histamine H(4) Receptor Antagonists with Promising Activity In Vivo
por: Olejarz-Maciej, Agnieszka, et al.
Publicado: (2023)

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, 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)

Selenazolinium Salts as “Small Molecule Catalysts” with High Potency against ESKAPE Bacterial Pathogens
por: Witek, Karolina, et al.
Publicado: (2017)

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

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)

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)

5-Arylideneimidazolones with Amine at Position 3 as Potential Antibiotic Adjuvants against Multidrug Resistant Bacteria
por: Kaczor, Aneta, et al.
Publicado: (2019)

Histamine H(3) Receptor Ligands—KSK-59 and KSK-73—Reduce Body Weight Gain in a Rat Model of Excessive Eating
por: Mika, Kamil, et al.
Publicado: (2021)

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)

The 1,3,5-Triazine Derivatives as Innovative Chemical Family of 5-HT(6) Serotonin Receptor Agents with Therapeutic Perspectives for Cognitive Impairment
por: Latacz, Gniewomir, et al.
Publicado: (2019)

Privileged Quinolylnitrones for the Combined Therapy of Ischemic Stroke and Alzheimer’s Disease
por: Alonso, José M., et al.
Publicado: (2021)

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)

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)

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)

Cannot write session to /tmp/vufind_sessions/sess_668h165sb5t5fbgmac8qc94cde