Cargando…

New quinoxaline-based VEGFR-2 inhibitors: design, synthesis, and antiproliferative evaluation with in silico docking, ADMET, toxicity, and DFT studies

A new series of 3-methylquinoxaline-based derivatives having the same essential pharmacophoric features as VEGFR-2 inhibitors have been synthesized and evaluated for their antiproliferative activities against two human cancer cell lines, MCF-7 and HepG-2. Compounds 15b and 17b demonstrated a signifi...

Descripción completa

Detalles Bibliográficos
Autores principales:	Alanazi, Mohammed M., Elkady, Hazem, Alsaif, Nawaf A., Obaidullah, Ahmad J., Alkahtani, Hamad M., Alanazi, Manal M., Alharbi, Madhawi A., Eissa, Ibrahim H., Dahab, Mohammed A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9044819/ https://www.ncbi.nlm.nih.gov/pubmed/35493991 http://dx.doi.org/10.1039/d1ra05925d

Ejemplares similares

Design, synthesis, docking, ADMET studies, and anticancer evaluation of new 3-methylquinoxaline derivatives as VEGFR-2 inhibitors and apoptosis inducers
por: Alanazi, Mohammed M., et al.
Publicado: (2021)

Discovery of new VEGFR-2 inhibitors based on bis([1, 2, 4]triazolo)[4,3-a:3',4'-c]quinoxaline derivatives as anticancer agents and apoptosis inducers
por: Alsaif, Nawaf A., et al.
Publicado: (2021)

Discovery of new 3-methylquinoxalines as potential anti-cancer agents and apoptosis inducers targeting VEGFR-2: design, synthesis, and in silico studies
por: Alanazi, Mohammed M., et al.
Publicado: (2021)

Benzoxazole derivatives as new VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, in silico studies, and antiproliferative evaluation
por: Taghour, Mohammed S., et al.
Publicado: (2022)

Antiproliferative Activity, Multikinase Inhibition, Apoptosis- Inducing Effects and Molecular Docking of Novel Isatin–Purine Hybrids
por: Alanazi, Ashwag S., et al.
Publicado: (2023)

New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation
por: Elwan, Alaa, et al.
Publicado: (2022)

Synthesis, anti-inflammatory, cytotoxic, and COX-1/2 inhibitory activities of cyclic imides bearing 3-benzenesulfonamide, oxime, and β-phenylalanine scaffolds: a molecular docking study
por: Abdel-Aziz, Alaa A.-M., et al.
Publicado: (2020)

A New CDK2 Inhibitor with 3-Hydrazonoindolin-2-One Scaffold Endowed with Anti-Breast Cancer Activity: Design, Synthesis, Biological Evaluation, and In Silico Insights
por: Al-Sanea, Mohammad M., et al.
Publicado: (2021)

Mechanistic interaction study of 5,6-Dichloro-2-[2-(pyridin-2-yl)ethyl]isoindoline-1,3-dione with bovine serum albumin by spectroscopic and molecular docking approaches
por: Alanazi, Mohammed M., et al.
Publicado: (2019)

New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico studies
por: Elkady, Hazem, et al.
Publicado: (2021)

Synthesis, X-ray Crystal Structure, Anticancer, Hirshfeld Surface Analysis, DFT, TD-DFT, ADMET, and Molecular Docking of 3-Phenyl-1,2,4-triazolo[3,4-h]-13,4-thiaza-11-crown-4
por: Lazrak, Fatima, et al.
Publicado: (2023)

Network Pharmacology- and Molecular Docking-Based Identification of Potential Phytocompounds from Argyreia capitiformis in the Treatment of Inflammation
por: Obaidullah, Ahmad J., et al.
Publicado: (2022)

Validated Microwell-Based Spectrofluorimetric Method for Quantification of Ravidasvir (New Anti-Chronic Hepatitis C Virus-GT4) in Rat Plasma and Its Application to Pharmacokinetic Study
por: Hefnawy, Mohamed, et al.
Publicado: (2020)

Design, Synthesis, and Biological Evaluation of 2-Mercaptobenzoxazole Derivatives as Potential Multi-Kinase Inhibitors
por: Alanazi, Mohammed M., et al.
Publicado: (2023)

Design, synthesis, anticancer evaluation, and in silico ADMET analysis of novel thalidomide analogs as promising immunomodulatory agents
por: Kotb, Anas Ramadan, et al.
Publicado: (2023)

Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects
por: Elkaeed, Eslam B., et al.
Publicado: (2022)

Synthesis, biological evaluation and computer-aided discovery of new thiazolidine-2,4-dione derivatives as potential antitumor VEGFR-2 inhibitors
por: Elkady, Hazem, et al.
Publicado: (2023)

Synthesis, anticancer, apoptosis-inducing activities and EGFR and VEGFR2 assay mechanistic studies of 5,5-diphenylimidazolidine-2,4-dione derivatives: Molecular docking studies
por: Alkahtani, Hamad M., et al.
Publicado: (2019)

Design, synthesis, antitumor evaluation, and molecular docking of novel pyrrolo[2,3-d]pyrimidine as multi-kinase inhibitors
por: Alanazi, Ashwag S., et al.
Publicado: (2023)

Novel 7-Deazapurine Incorporating Isatin Hybrid Compounds as Protein Kinase Inhibitors: Design, Synthesis, In Silico Studies, and Antiproliferative Evaluation
por: Alanazi, Mohammed M., et al.
Publicado: (2023)

Isolation, characterization, development and evaluation of phytoconstituent based formulation for diabetic neuropathy
por: Pathak, Rashmi, et al.
Publicado: (2023)

Immunoinformatics-guided design of a multi-epitope vaccine based on the structural proteins of severe acute respiratory syndrome coronavirus 2
por: Obaidullah, Ahmad J., et al.
Publicado: (2021)

New Quinoxaline-Based Derivatives as PARP-1 Inhibitors: Design, Synthesis, Antiproliferative, and Computational Studies
por: Syam, Yasmin M., et al.
Publicado: (2022)

Computer-assisted drug discovery (CADD) of an anti-cancer derivative of the theobromine alkaloid inhibiting VEGFR-2
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

Theoretical investigation using DFT of quinoxaline derivatives for electronic and photovoltaic effects
por: El Assyry, A., et al.
Publicado: (2020)

Deeper Insights on Cnesmone javanica Blume Leaves Extract: Chemical Profiles, Biological Attributes, Network Pharmacology and Molecular Docking
por: Obaidullah, Ahmad J., et al.
Publicado: (2021)

Synthesis, Characterization, DFT Mechanistic Study, Antimicrobial Activity, Molecular Modeling, and ADMET Properties of Novel Pyrazole-isoxazoline Hybrids
por: Chalkha, Mohammed, et al.
Publicado: (2022)

Mechanisms underlying the antiproliferative effects of a series of quinoxaline-derived chalcones
por: Mielcke, Tânia R., et al.
Publicado: (2017)

Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular dynamic simulation studies
por: Yousef, Reda G., et al.
Publicado: (2022)

A Theobromine Derivative with Anticancer Properties Targeting VEGFR‐2: Semisynthesis, in silico and in vitro Studies
por: Eissa, Ibrahim H., et al.
Publicado: (2023)

Design, synthesis, molecular modeling and biological evaluation of novel Benzoxazole-Benzamide conjugates via a 2-Thioacetamido linker as potential anti-proliferative agents, VEGFR-2 inhibitors and apoptotic inducers
por: Eissa, Ibrahim H., et al.
Publicado: (2022)

Design and synthesis of thiazolidine-2,4-diones hybrids with 1,2-dihydroquinolones and 2-oxindoles as potential VEGFR-2 inhibitors: in-vitro anticancer evaluation and in-silico studies
por: Taghour, Mohammed S., et al.
Publicado: (2022)

Mechanism Underlying Triple VEGFR Inhibitor Tivozanib-Induced Hypertension in Mice Model
por: Alanazi, Wael A., et al.
Publicado: (2023)

Gastroprotective evaluation of Medicago sativa L. (Fabaceae) on diabetic rats
por: Chandra, Phool, et al.
Publicado: (2023)

Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2,4-diones targeting VEGFR-2 and apoptosis pathway
por: Taghour, Mohammed S., et al.
Publicado: (2022)

A Novel Green Micellar HPLC-UV Method for the Estimation of Vandetanib in Pure Form, Human Urine, Human Plasma and Human Liver Microsomes Matrices with Application to Metabolic Stability Evaluation
por: Alanazi, Mohammed M., et al.
Publicado: (2022)

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET
por: Flores-Holguín, Norma, et al.
Publicado: (2022)

In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies
por: Alesawy, Mohamed S., et al.
Publicado: (2021)

Integrated Structural, Functional, and ADMET Analysis of 2-Methoxy-4,6-Diphenylnicotinonitrile: The Convergence of X-ray Diffraction, Molecular Docking, Dynamic Simulations, and Advanced Computational Insights
por: Bakheit, Ahmed H., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_ikihnd76e5okp9dn7k66kasrug