Peptide Scaffold-Based Discovery of Nonpeptide Natural Medicines to Target PI3K p85 SH2 Domain

Targeting Self-Binding Peptides as a Novel Strategy To Regulate Protein Activity and Function: A Case Study on the Proto-oncogene Tyrosine Protein Kinase c-Src

(2017) Zhengya Bai et al.   Journal of Chemical Information and Modeling

Pictilisib PI3Kinase inhibitor (a phosphatidylinositol 3-kinase [PI3K] inhibitor) plus paclitaxel for the treatment of hormone receptor-positive, HER2-negative, locally recurrent, or metastatic breast cancer: interim analysis of the multicentre, placebo-controlled, phase II randomised PEGGY study

(2016) P. Vuylsteke et al.   ANNALS OF ONCOLOGY

Crystal Structures and Thermodynamic Analysis Reveal Distinct Mechanisms of CD28 Phosphopeptide Binding to the Src Homology 2 (SH2) Domains of Three Adaptor Proteins

(2016) Satomi Inaba et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A two-step binding mechanism for the self-binding peptide recognition of target domains

(2016) Chao Yang et al.   Molecular BioSystems

Novel agents and associated toxicities of inhibitors of the pi3k/Akt/mtor pathway for the treatment of breast cancer

(2015) S. Chia et al.   Current Oncology

Buparlisib, an oral pan-PI3K inhibitor for the treatment of breast cancer

(2015) Elena Geuna et al.   EXPERT OPINION ON INVESTIGATIONAL DRUGS

Design and Optimization of Peptide Ligands to Target Breast Cancer-Positive HER2 by Grafting and Truncation of MIG6 Peptide

(2015) Xiao-Dong Yu et al.   International Journal of Peptide Research and Therapeutics

Self-Binding Peptides: Folding or Binding?

(2015) Chao Yang et al.   Journal of Chemical Information and Modeling

Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field

(2015) Michael J. Robertson et al.   Journal of Chemical Theory and Computation

Structure-Based Screen Identifies a Potent Small Molecule Inhibitor of Stat5a/b with Therapeutic Potential for Prostate Cancer and Chronic Myeloid Leukemia

(2015) Z. Liao et al.   MOLECULAR CANCER THERAPEUTICS

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

Classes of phosphoinositide 3-kinases at a glance

(2014) S. Jean et al.   JOURNAL OF CELL SCIENCE

Screen3D: A Novel Fully Flexible High-Throughput Shape-Similarity Search Method

(2014) Adrián Kalászi et al.   Journal of Chemical Information and Modeling

Computational Peptidology: A New and Promising Approach to Therapeutic Peptide Design

(2013) P. Zhou et al.   CURRENT MEDICINAL CHEMISTRY

Development of PI3K inhibitors: lessons learned from early clinical trials

(2013) Jordi Rodon et al.   Nature Reviews Clinical Oncology

Beyond Profiling: Using ADMET Models to Guide Decisions

(2009) Matthew Segall et al.   CHEMISTRY & BIODIVERSITY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Discovery of a Quorum-Sensing Inhibitor of Drug-Resistant Staphylococcal Infections by Structure-Based Virtual Screening

(2008) M. D. Kiran et al.   MOLECULAR PHARMACOLOGY

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Binding specificity of SH2 domains: Insight from free energy simulations

(2008) Wenxun Gan et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS