Studies on the Dual Activity of EGFR and HER-2 Inhibitors Using Structure-Based Drug Design Techniques

Rational design, chemical synthesis and biological evaluation of novel biguanides exploring species-specificity responsiveness of TAAR1 agonists

(2018) Sara Guariento et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents

(2017) Michell O. Almeida et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Exhaustive CoMFA and CoMSIA analyses around different chemical entities: a ligand-based study exploring the affinity and selectivity profiles of 5-HT1A ligands

(2017) Sara Guariento et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Scouting new sigma receptor ligands: Synthesis, pharmacological evaluation and molecular modeling of 1,3-dioxolane-based structures and derivatives

(2016) Silvia Franchini et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

In silicostudies on the interaction between bioactive ligands and ALK5, a biological target related to the cancer treatment

(2016) Michell O. Almeida et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Exhaustive 3D-QSAR analyses as a computational tool to explore the potency and selectivity profiles of thieno[3,2-d]pyrimidin-4(3H)-one derivatives as PDE7 inhibitors

(2016) Elena Cichero et al.   RSC Advances

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

ALK-5 Inhibition: A Molecular Interpretation of the Main Physicochemical Properties Related to Bioactive Ligands

(2015) Sheila C. Araujo et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Recent Advances in Multidimensional QSAR (4D-6D): A Critical Review

(2014) Manoj Damale et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Computational studies of TGF-βRI (ALK-5) inhibitors: Analysis of the binding interactions between ligand–receptor using 2D and 3D techniques

(2013) Sheila C. Araujo et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Design and synthesis of pyrrolo[3,2-d]pyrimidine HER2/EGFR dual inhibitors: Improvement of the physicochemical and pharmacokinetic profiles for potent in vivo anti-tumor efficacy

(2012) Youichi Kawakita et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Design and Synthesis of Pyrrolo[3,2-d]pyrimidine Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors: Exploration of Novel Back-Pocket Binders

(2012) Youichi Kawakita et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Analysis of the Mechanism of Inhibition and Allosteric Activation of the Kinase Domain of HER2 Protein

(2011) Kathleen Aertgeerts et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold

(2011) Tomoyasu Ishikawa et al.   JOURNAL OF MEDICINAL CHEMISTRY

Two-dimensional quantitative structure-activity relationship studies on bioactive ligands of peroxisome proliferator-activated receptor δ

(2011) Tábata S. Garcia et al.   JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY

Editorial [Hot topic: Structure-Based Virtual Screening (Guest Editor: Walter Filgueira De Azevedo Jr.)]

(2010) Walter De Azevedo Jr.   CURRENT DRUG TARGETS

Propriedades químico-quânticas empregadas em estudos das relações estrutura-atividade

(2010) Agnaldo Arroio et al.   QUIMICA NOVA