Unravelling novel congeners from acetyllysine mimicking ligand targeting a lysine acetyltransferase PCAF bromodomain

Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe

(2017) Philip G. Humphreys et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of a PCAF Bromodomain Chemical Probe

(2016) Moses Moustakim et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain

(2016) Apirat Chaikuad et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Bromodomain: A New Target in Emerging Epigenetic Medicine

(2015) Steven G. Smith et al.   ACS Chemical Biology

Predictiveness curves in virtual screening

(2015) Charly Empereur-mot et al.   Journal of Cheminformatics

Combined ligand and structure-based approaches on HIV-1 integrase strand transfer inhibitors

(2014) Karnati Konda Reddy et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Fluorescence Polarization for the Evaluation of Small-Molecule Inhibitors of PCAF BRD/Tat-AcK50 Association

(2014) Ping Hu et al.   ChemMedChem

Structure-Based Virtual Screening Approach for Discovery of Covalently Bound Ligands

(2014) Dora Toledo Warshaviak et al.   Journal of Chemical Information and Modeling

Assessment of dual inhibition property of newly discovered inhibitors against PCAF and GCN5 throughin silicoscreening, molecular dynamics simulation and DFT approach

(2014) Venkatesan Suryanarayanan et al.   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

Insights into the structural basis of 3,5-diaminoindazoles as CDK2 inhibitors: prediction of binding modes and potency by QM–MM interaction, MESP and MD simulation

(2014) Sunil Kumar Tripathi et al.   Molecular BioSystems

Physics-based enzyme design: Predicting binding affinity and catalytic activity

(2014) Sarah Sirin et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Probing p300/CBP Associated Factor (PCAF)-Dependent Pathways with a Small Molecule Inhibitor

(2013) Rahul Modak et al.   ACS Chemical Biology

Histone Acetyltransferase PCAF Is Required for Hedgehog-Gli-Dependent Transcription and Cancer Cell Proliferation

(2013) M. Malatesta et al.   CANCER RESEARCH

A three-dimensional chemical phase pharmacophore mapping, QSAR modelling and electronic feature analysis of benzofuran salicylic acid derivatives as LYP inhibitors

(2013) V. Suryanarayanan et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Small organic molecules targeting PCAF bromodomain as potent inhibitors of HIV-1 replication

(2013) Qiang Wang et al.   MedChemComm

Druggability Analysis and Structural Classification of Bromodomain Acetyl-lysine Binding Sites

(2012) Lewis R. Vidler et al.   JOURNAL OF MEDICINAL CHEMISTRY

Pharmacophore Modeling and Density Functional Theory Analysis for A Series of Nitroimidazole Compounds with Antitubercular Activity

(2011) Nilesh R. Tawari et al.   Chemical Biology & Drug Design

A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes

(2011) Jagat C. Borah et al.   CHEMISTRY & BIOLOGY

Bromodomains as therapeutic targets

(2011) Susanne Muller et al.   EXPERT REVIEWS IN MOLECULAR MEDICINE

3,5-Dimethylisoxazoles Act As Acetyl-lysine-mimetic Bromodomain Ligands

(2011) David S. Hewings et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery and Characterization of Small Molecule Inhibitors of the BET Family Bromodomains

(2011) Chun-wa Chung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Noscapinoids with anti-cancer activity against human acute lymphoblastic leukemia cells (CEM): a three dimensional chemical space pharmacophore modeling and electronic feature analysis

(2011) Pradeep K. Naik et al.   JOURNAL OF MOLECULAR MODELING

RNAi screen identifies Brd4 as a therapeutic target in acute myeloid leukaemia

(2011) Johannes Zuber et al.   NATURE

The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling

(2011) Jianing Li et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Probing theα-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis

(2010) Zuojun Guo et al.   Chemical Biology & Drug Design

Pharmacophore modeling of some novel indole β-diketo acid and coumarin-based derivatives as HIV integrase inhibitors

(2010) Shailesh V. Jain et al.   MEDICINAL CHEMISTRY RESEARCH

Mice knock out for the histone acetyltransferase p300/CREB binding protein-associated factor develop a resistance to amyloid toxicity

(2010) F. Duclot et al.   NEUROSCIENCE

Pharmacophore mapping and electronic feature analysis for a series of nitroaromatic compounds with antitubercular activity

(2009) Nilesh R. Tawari et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Pharmacokinetically-Guided Lead Optimization of Nitrofuranylamide Anti-Tuberculosis Agents

(2008) Nageshwar R. Budha et al.   AAPS Journal

Studies of trypanocidal (inhibitory) power of naphthoquinones: Evaluation of quantum chemical molecular descriptors for structure–activity relationships

(2008) M. Paulino et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Demystified molecular pathology of NUT midline carcinomas

(2008) C. A. French   JOURNAL OF CLINICAL PATHOLOGY