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

Alginate/κ-carrageenan oral microcapsules loaded with Agaricus bisporus polysaccharides MH751906 for natural killer cells mediated colon cancer immunotherapy

(2022) Nehal M. El-Deeb et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Expression, Purification, and Comparative Inhibition of Helicobacter pylori Urease by Regio-Selectively Alkylated Benzimidazole 2-Thione Derivatives

(2022) Salih Osman Mohammed et al.   MOLECULES

Jusanin, a New Flavonoid from Artemisia commutata with an In Silico Inhibitory Potential against the SARS-CoV-2 Main Protease

(2022) Yerlan M. Suleimen et al.   MOLECULES

Discovery of thieno[2,3-d]pyrimidine-based derivatives as potent VEGFR-2 kinase inhibitors and anti-cancer agents

(2021) Souad A. El-Metwally et al.   BIOORGANIC CHEMISTRY

An updated patent review of VEGFR-2 inhibitors (2017-present)

(2021) Thoraya A. Farghaly et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

Discovery of new anticancer thiourea-azetidine hybrids: design, synthesis, in vitro antiproliferative, SAR, in silico molecular docking against VEGFR-2, ADMET, toxicity, and DFT studies

(2021) Deepa R. Parmar et al.   BIOORGANIC CHEMISTRY

Differences in Incidence and Mortality Trends of Colorectal Cancer, Worldwide, Based on Sex, Age, and Anatomic Location

(2020) Martin CS. Wong et al.   Clinical Gastroenterology and Hepatology

Design, molecular docking, in vitro, and in vivo studies of new quinazolin-4(3H)-ones as VEGFR-2 inhibitors with potential activity against hepatocellular carcinoma

(2020) Ibrahim.H. Eissa et al.   BIOORGANIC CHEMISTRY

Global cancer statistics 2018: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries

(2018) Freddie Bray et al.   CA-A CANCER JOURNAL FOR CLINICIANS

Molecular Dynamics Simulation for All

(2018) Scott A. Hollingsworth et al.   NEURON

Lubricant shear thinning behavior correlated with variation of radius of gyration via molecular dynamics simulations

(2017) Pinzhi Liu et al.   JOURNAL OF CHEMICAL PHYSICS

1-Piperazinylphthalazines as potential VEGFR-2 inhibitors and anticancer agents: Synthesis and in vitro biological evaluation

(2016) Sahar M. Abou-Seri et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Cytotoxicity, Post-Treatment Recovery, and Selectivity Analysis of Naturally Occurring Podophyllotoxins from Bursera fagaroides var. fagaroides on Breast Cancer Cell Lines

(2016) Omar Peña-Morán et al.   MOLECULES

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

Synthesis, Biological Evaluation and 2D-QSAR Study of Halophenyl Bis-Hydrazones as Antimicrobial and Antitubercular Agents

(2015) Hatem Abdel-Aziz et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

Design, synthesis and glucose uptake activity of some novel glitazones

(2014) Koyel Kar et al.   BIOORGANIC CHEMISTRY

IL-6 as a corneal wound healing mediator in an in vitro scratch assay

(2014) Isabel Arranz-Valsero et al.   EXPERIMENTAL EYE RESEARCH

Molecular docking and molecular dynamics studies on β-lactamases and penicillin binding proteins

(2014) K. M. Kumar et al.   Molecular BioSystems

Evading apoptosis in cancer

(2013) Kaleigh Fernald et al.   TRENDS IN CELL BIOLOGY

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Molecular dynamics simulations and drug discovery

(2011) Jacob D Durrant et al.   BMC BIOLOGY

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

Determination of Ensemble-Average Pairwise Root Mean-Square Deviation from Experimental B-Factors

(2010) Antonija Kuzmanic et al.   BIOPHYSICAL JOURNAL

Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors

(2010) Kyungik Lee et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dopamine 5 receptor mediates Ang II type 1 receptor degradation via a ubiquitin-proteasome pathway in mice and human cells

(2008) Hewang Li et al.   JOURNAL OF CLINICAL INVESTIGATION

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Rb/E2F4 and Smad2/3 link survivin to TGF-β-induced apoptosis and tumor progression

(2008) J Yang et al.   ONCOGENE