Structural insights and influence of V599 mutations on the overall dynamics of BRAF protein against its kinase domains

Spirotriazoline oxindoles: A novel chemical scaffold with in vitro anticancer properties

(2017) Carlos J.A. Ribeiro et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Potent Pan-Raf and Receptor Tyrosine Kinase Inhibitors Based on a Cyclopropyl Formamide Fragment Overcome Resistance

(2017) Yanmin Zhang et al.   Journal of Chemical Information and Modeling

Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug–Target Interactions of Natural Products Enables New Targeted Cancer Therapy

(2017) Jiansong Fang et al.   Journal of Chemical Information and Modeling

Theoretical models of inhibitory activity for inhibitors of protein–protein interactions: targeting menin–mixed lineage leukemia with small molecules

(2017) Wiktoria Jedwabny et al.   MedChemComm

Cancer statistics, 2016

(2016) Rebecca L. Siegel et al.   CA-A CANCER JOURNAL FOR CLINICIANS

Subtle Structural Differences Trigger Inhibitory Activity of Propafenone Analogues at the Two Polyspecific ABC Transporters: P-Glycoprotein (P-gp) and Breast Cancer Resistance Protein (BCRP)

(2016) Theresa Schwarz et al.   ChemMedChem

Molecular docking study of natural alkaloids as multi-targeted hedgehog pathway inhibitors in cancer stem cell therapy

(2016) Mayank et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation

(2016) Rajan Kumar Pandey et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

The future of cancer treatment: immunomodulation, CARs and combination immunotherapy

(2016) Danny N. Khalil et al.   Nature Reviews Clinical Oncology

Structural insights into conformational stability of both wild-type and mutant EZH2 receptor

(2016) Imlimaong Aier et al.   Scientific Reports

ZEB1 Mediates Acquired Resistance to the Epidermal Growth Factor Receptor-Tyrosine Kinase Inhibitors in Non-Small Cell Lung Cancer

(2016) Takeshi Yoshida et al.   PLoS One

Targeting cancer with kinase inhibitors

(2015) Stefan Gross et al.   JOURNAL OF CLINICAL INVESTIGATION

A eudesmane-type sesquiterpene isolated from Pluchea odorata (L.) Cass. combats three hallmarks of cancer cells: Unrestricted proliferation, escape from apoptosis and early metastatic outgrowth in vitro

(2015) Michael Blaschke et al.   MUTATION RESEARCH-FUNDAMENTAL AND MOLECULAR MECHANISMS OF MUTAGENESIS

Interaction model of steviol glycosides from Stevia rebaudiana (Bertoni) with sweet taste receptors: A computational approach

(2015) Mayank et al.   PHYTOCHEMISTRY

Binding interaction between sorafenib and calf thymus DNA: Spectroscopic methodology, viscosity measurement and molecular docking

(2015) Jie-Hua Shi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

FDA-approved small-molecule kinase inhibitors

(2015) Peng Wu et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

KRAS oncogene repression in colon cancer cell lines by G-quadruplex binding indolo[3,2-c]quinolines

(2015) João Lavrado et al.   Scientific Reports

An Electrochemically and Thermally Switchable Donor-Acceptor [c2]Daisy Chain Rotaxane

(2014) Carson J. Bruns et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Drug Target Strategies in Breast Cancer Treatment: Recent Developments

(2014) Mayank et al.   Anti-Cancer Agents in Medicinal Chemistry

A Computational Approach to Enzyme Design: Predicting ω-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring

(2014) Sarah Sirin et al.   Journal of Chemical Information and Modeling

Development of a cyclin-dependent kinase inhibitor devoid of ABC transporter-dependent drug resistance

(2013) M Kaliszczak et al.   BRITISH JOURNAL OF CANCER

Feasibility of Using Molecular Docking-Based Virtual Screening for Searching Dual Target Kinase Inhibitors

(2013) Shunye Zhou et al.   Journal of Chemical Information and Modeling

A Comprehensive Survey of Ras Mutations in Cancer

(2012) I. A. Prior et al.   CANCER RESEARCH

In Silico Deconstruction of ATP-Competitive Inhibitors of Glycogen Synthase Kinase-3β

(2012) Paola Bisignano et al.   Journal of Chemical Information and Modeling

RING: networking interacting residues, evolutionary information and energetics in protein structures

(2011) A. J. M. Martin et al.   BIOINFORMATICS

FlexServ: an integrated tool for the analysis of protein flexibility

(2009) J. Camps et al.   BIOINFORMATICS

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