Computer-assisted drug discovery (CADD) of an anti-cancer derivative of the theobromine alkaloid inhibiting VEGFR-2

Novel synthesis of multicomponent porous nano-hybrid composite, theoretical investigation using DFT and dye adsorption applications: disposing of waste with waste

(2022) Tongtong Wang et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)

(2022) Igor José dos Santos Nascimento et al.   Letters in Drug Design & Discovery

Traditional and Novel Computer-Aided Drug Design (CADD) Approaches in the Anticancer Drug Discovery Process 
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(2022) Nidia del Carmen Quintal Bojorquez et al.   CURRENT CANCER DRUG TARGETS

A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease

(2022) Eslam B. Elkaeed et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease

(2022) Eslam B. Elkaeed et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies

(2022) Eslam B. Elkaeed et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

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

(2022) Mohammed S. Taghour et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects

(2022) Eslam B. Elkaeed et al.   MOLECULES

Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation

(2022) Alaa Elwan et al.   MOLECULES

The Assessment of Anticancer and VEGFR-2 Inhibitory Activities of a New 1H-Indole Derivative: In Silico and In Vitro Approaches

(2022) Eslam B. Elkaeed et al.   Processes

Anti-cancer and immunomodulatory evaluation of new nicotinamide derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: in vitro and in silico studies

(2022) Reda G. Yousef et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2,4-diones targeting VEGFR-2 and apoptosis pathway

(2022) Mohammed S. Taghour et al.   PLoS One

(E)-N-(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies

(2022) Reda G. Yousef et al.   MOLECULES

New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico studies

(2021) Hazem Elkady et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Vascular mimicry: changing the therapeutic paradigms in cancer

(2020) Nazila Fathi Maroufi et al.   MOLECULAR BIOLOGY REPORTS

A review on machine learning methods for in silico toxicity prediction

(2019) Gabriel Idakwo et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART C-ENVIRONMENTAL CARCINOGENESIS & ECOTOXICOLOGY REVIEWS

ADMET modeling approaches in drug discovery

(2019) Leonardo L.G. Ferreira et al.   DRUG DISCOVERY TODAY

Emodin, a natural anthraquinone, suppresses liver cancer in vitro and in vivo by regulating VEGFR2 and miR-34a

(2019) Jianguo Bai et al.   INVESTIGATIONAL NEW DRUGS

Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery

(2019) Xin Yang et al.   CHEMICAL REVIEWS

Tumor angiogenesis: causes, consequences, challenges and opportunities

(2019) Roberta Lugano et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Reversible posterior leukoencephalopathy syndrome induced by apatinib: a case report and literature review

(2018) Xutong Li et al.   OncoTargets and Therapy

Novel SERMs based on 3-aryl-4-aryloxy-2H-chromen-2-one skeleton - A possible way to dual ERα/VEGFR-2 ligands for treatment of breast cancer

(2017) Guoshun Luo et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Anti-Angiogenic Therapy: Strategies to Develop Potent VEGFR-2 Tyrosine Kinase Inhibitors and Future Prospect

(2016) Leilei Shi et al.   CURRENT MEDICINAL CHEMISTRY

Synthesis, antiangiogenesis evaluation and molecular docking studies of 1-aryl-3-[(thieno[3,2-b]pyridin-7-ylthio)phenyl]ureas: Discovery of a new substitution pattern for type II VEGFR-2 Tyr kinase inhibitors

(2015) Vera A. Machado et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

(2015) I.B. Obot et al.   CORROSION SCIENCE

Active-learning strategies in computer-assisted drug discovery

(2015) Daniel Reker et al.   DRUG DISCOVERY TODAY

Expression and prognostic significance of VEGFR-2 in breast cancer

(2015) Ji-Dong Yan et al.   PATHOLOGY RESEARCH AND PRACTICE

Drug safety evaluation of sorafenib for treatment of solid tumors: consequences for the risk assessment and management of cancer patients

(2014) Olivier Huillard et al.   Expert Opinion On Drug Safety

An introduction to the wound healing assay using live-cell microscopy

(2014) James E. N. Jonkman et al.   Cell Adhesion & Migration

Reversible Posterior Leukoencephalopathy Syndrome Induced by Axitinib

(2013) Antonin Levy et al.   Clinical Genitourinary Cancer

G13 Controls Angiogenesis through Regulation of VEGFR-2 Expression

(2013) Kishor Kumar Sivaraj et al.   DEVELOPMENTAL CELL

Dietary Compound Isoliquiritigenin Inhibits Breast Cancer Neoangiogenesis via VEGF/VEGFR-2 Signaling Pathway

(2013) Zhiyu Wang et al.   PLoS One

(Q)SAR Modeling and Safety Assessment in Regulatory Review

(2012) N L Kruhlak et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Polymorphisms to Predict Outcome to the Tyrosine Kinase Inhibitors Gefitinib, Erlotinib, Sorafenib and Sunitinib

(2012) Lale Erdem et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Development and strategies of VEGFR-2/KDR inhibitors

(2012) Lingyi Huang et al.   Future Medicinal Chemistry

YN968D1 is a novel and selective inhibitor of vascular endothelial growth factor receptor-2 tyrosine kinase with potent activity in vitro and in vivo

(2011) Shu Tian et al.   CANCER SCIENCE

Foretinib (GSK1363089), a multi-kinase inhibitor of MET and VEGFRs, inhibits growth of gastric cancer cell lines by blocking inter-receptor tyrosine kinase networks

(2011) Yu Kataoka et al.   INVESTIGATIONAL NEW DRUGS

The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: A structural analysis of the binding interactions of Gleevec®, Nexavar®, and BIRB-796

(2010) Justin Dietrich et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Tyrosine Kinase Inhibitors – A Review on Pharmacology, Metabolism and Side Effects

(2009) Jorg Hartmann et al.   CURRENT DRUG METABOLISM

Binding Site Similarity Analysis for the Functional Classification of the Protein Kinase Family

(2009) Sarah L. Kinnings et al.   Journal of Chemical Information and Modeling

Significance of Protein Binding in Pharmacokinetics and Pharmacodynamics

(2009) Stephan Schmidt et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

VEGFR-2 antagonist SU5416 attenuates bleomycin-induced pulmonary fibrosis in mice

(2008) Xue-Mei Ou et al.   INTERNATIONAL IMMUNOPHARMACOLOGY

Functional significance of VEGFR-2 on ovarian cancer cells

(2008) Whitney A. Spannuth et al.   INTERNATIONAL JOURNAL OF CANCER