Angelo Carotti

发表

LFER and CoMFA studies on optical resolution of α-alkyl α-aryloxy acetic acid methyl esters on DACH-DNB chiral stationary phase

Angelo Carotti, Cosimo Altomare, Saverio Cellamare, 1995, J. Comput. Aided Mol. Des..

Screening of Matrix Metalloproteinases Available from the Protein Data Bank: Insights into Biological Functions, Domain Organization, and Zinc Binding Groups

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2007, J. Chem. Inf. Model..

Development of a unique 3D interaction model of endogenous and synthetic peripheral benzodiazepine receptor ligands

Hans-Dieter Höltje, Angelo Carotti, Nunzia Cinone, 2000, J. Comput. Aided Mol. Des..

Analysis of X-ray Structures of Matrix Metalloproteinases via Chaotic Map Clustering

Roberto Bellotti, Francesco De Carlo, Angelo Carotti, 2010, BMC Bioinformatics.

A K-nn Algorithm for Predicting the Oral Sub- Chronic Toxicity in the Rat

Emilio Benfenati, Angelo Carotti, Anna Lombardo, 2022 .

Distant collaboration in drug discovery: The LINK3D project

Tudor I. Oprea, Ferran Sanz, Maria Isabel Loza, 2002, J. Comput. Aided Mol. Des..

QSAR and QSPR Studies of a Highly Structured Physicochemical Domain

Angelo Carotti, Orazio Nicolotti, 2006, J. Chem. Inf. Model..

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes.

Emilio Benfenati, Angelo Carotti, Matteo Floris, 2014, ALTEX.

Mind the Gap! A Journey towards Computational Toxicology

Angelo Carotti, Saverio Cellamare, Daniela Trisciuzzi, 2016, Molecular informatics.

Improving Quantitative Structure-Activity Relationships through Multiobjective Optimization

Angelo Carotti, Ilenia Giangreco, Orazio Nicolotti, 2009, J. Chem. Inf. Model..

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

Angelo Carotti, Ilenia Giangreco, Francesco Leonetti, 2010, J. Comput. Aided Mol. Des..

QSPR/QSAR analyses by means of the CORAL software: Results, challenges, perspectives

Jerzy Leszczynski, Andrey A. Toropov, Alla P. Toropova, 2015 .

Computer-Aided Structure-Based Design of Multitarget Leads for Alzheimer's Disease

Angelo Carotti, M. Carmen Villaverde, Fredy Sussman, 2015, J. Chem. Inf. Model..

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data.

Emilio Benfenati, Angelo Carotti, Saverio Cellamare, 2015, Future medicinal chemistry.

A Round Trip from Medicinal Chemistry to Predictive Toxicology.

Angelo Carotti, Ettore Novellino, Orazio Nicolotti, 2016, Methods in molecular biology.

An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2008, J. Chem. Inf. Model..

Strategies of multi-objective optimization in drug discovery and development

Angelo Carotti, Ilenia Giangreco, Francesco Leonetti, 2011, Expert opinion on drug discovery.

Impact of species-dependent differences on screening, design, and development of MAO B inhibitors.

Angelo Carotti, Francesco Leonetti, Antoine Daina, 2006, Journal of medicinal chemistry.

Investigating Enzyme Selectivity and Hit Enrichment by Automatically Interfacing Ligand- and Structure-Based Molecular Design

Angelo Carotti, Ilenia Giangreco, Orazio Nicolotti, 2009 .

Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches.

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2006, Journal of medicinal chemistry.

REACH and in silico methods: an attractive opportunity for medicinal chemists.

Emilio Benfenati, Angelo Carotti, Ettore Novellino, 2014, Drug discovery today.

New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones.

Ferran Sanz, Angelo Carotti, Antonio Carrieri, 2002, Journal of medicinal chemistry.

Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase.

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2011, Journal of medicinal chemistry.

Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9.

Angelo Carotti, Saverio Cellamare, Fulvio Loiodice, 2012, European journal of medicinal chemistry.

Solid phase synthesis of a molecular library of pyrimidines, pyrazoles, and isoxazoles with biological potential

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2010 .

SYNTHESIS OF NEW HETEROCYCLIC RING SYSTEMS: INDENO[2,1-B]-BENZO[G]INDOLIZINE AND INDENO[1',2':5,4]PYRROLO[2,1-A]PHTHALAZINE

Angelo Carotti, Giovanni Casini, Giovanni Casini, 1990 .

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

Angelo Carotti, Orazio Nicolotti, Domenico Gadaleta, 2015, European journal of medicinal chemistry.

A Chemocentric Approach to the Identification of Cancer Targets

Beáta Flachner, Jordi Mestres, Ferran Sanz, 2012, PloS one.

Three‐dimensional model of the human aromatase enzyme and density functional parameterization of the iron‐containing protoporphyrin IX for a molecular dynamics study of heme‐cysteinato cytochromes

Angelo Carotti, Matteo Masetti, Maurizio Recanatini, 2006, Proteins.

9,10‐Anthraquinone hinders β‐aggregation: How does a small molecule interfere with Aβ‐peptide amyloid fibrillation?

Angelo Carotti, Amedeo Caflisch, Riccardo Pellarin, 2009, Protein science : a publication of the Protein Society.

Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.

Angelo Carotti, Leonardo Pisani, Andrea Mattevi, 2007, Journal of medicinal chemistry.

Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors.

Angelo Carotti, Francesco Leonetti, Angelo D. Favia, 2004, Journal of medicinal chemistry.

Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR models.

Angelo Carotti, Cosimo Altomare, Orazio Nicolotti, 2004, Current topics in medicinal chemistry.