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Maria Maddalena Cavalluzzi, Giuseppe Felice Mangiatordi, Orazio Nicolotti & Giovanni Lentini. (2017) Ligand efficiency metrics in drug discovery: the pros and cons from a practical perspective. Expert Opinion on Drug Discovery 12:11, pages 1087-1104.
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Angelo Danilo Favia, Orazio Nicolotti, Angela Stefanachi, Francesco Leonetti & Angelo Carotti. (2013) Computational methods for the design of potent aromatase inhibitors. Expert Opinion on Drug Discovery 8:4, pages 395-409.
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Articles from other publishers (26)
Nicola Gambacorta, Valeria Gasperi, Tatiana Guzzo, Francesco Saverio Di Leva, Fulvio Ciriaco, Cristina Sánchez, Valentina Tullio, Diego Rozzi, Luciana Marinelli, Alessandra Topai, Orazio Nicolotti & Mauro Maccarrone. (2023) Exploring the 1,3-benzoxazine chemotype for cannabinoid receptor 2 as a promising anti-cancer therapeutic. European Journal of Medicinal Chemistry 259, pages 115647.
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Nicola Gambacorta, Daniela Trisciuzzi, Fulvio Ciriaco, Fabrizio Mastrolorito, Maria Vittoria Togo, Anna Rita Tondo, Cosimo Damiano Altomare, Nicola Amoroso & Orazio Nicolotti. 2023. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development. Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development
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Emile P. Chen, Robert W. Bondi, Carolyn Zhang, Daniel J. Price, Ming-Hsun Ho, Kira A. Armacost & Michael P. DeMartino. (2022) Applications of Model-Based Target Pharmacology Assessment in Defining Drug Design and DMPK Strategies: GSK Experiences. Journal of Medicinal Chemistry 65:9, pages 6926-6939.
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Alya A Arabi. (2021) Artificial intelligence in drug design: algorithms, applications, challenges and ethics. Future Drug Discovery 3:2.
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Alberga Domenico, Gambacorta Nicola, Trisciuzzi Daniela, Ciriaco Fulvio, Amoroso Nicola & Nicolotti Orazio. (2020)
De Novo
Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization
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Francesca Carofiglio, Daniela Trisciuzzi, Nicola Gambacorta, Francesco Leonetti, Angela Stefanachi & Orazio Nicolotti. (2020) Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to. Molecules 25:18, pages 4210.
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Petra Schneider, W. Patrick Walters, Alleyn T. Plowright, Norman Sieroka, Jennifer Listgarten, Robert A. GoodnowJr.Jr., Jasmin Fisher, Johanna M. Jansen, José S. Duca, Thomas S. Rush, Matthias Zentgraf, John Edward Hill, Elizabeth Krutoholow, Matthias Kohler, Jeff Blaney, Kimito Funatsu, Chris Luebkemann & Gisbert Schneider. (2019) Rethinking drug design in the artificial intelligence era. Nature Reviews Drug Discovery 19:5, pages 353-364.
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Yi Fu, Zhiguo Chen & Jun Sun. (2018) Random drift particle swarm optimisation algorithm for highly flexible protein-ligand docking. Journal of Theoretical Biology 457, pages 180-189.
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Filip Lj. Andrić. (2018) Towards polypotent natural products: The Derringer desirability approach and nonparametric ranking for multicriteria evaluation of essential oils. Journal of Chemometrics 32:10, pages e3050.
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Angela Stefanachi, Francesco Leonetti, Leonardo Pisani, Marco Catto & Angelo Carotti. (2018) Coumarin: A Natural, Privileged and Versatile Scaffold for Bioactive Compounds. Molecules 23:2, pages 250.
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Odailson Santos Paz, Thamires Quadros Froes, Franco Henrique Leite & Marcelo Santos Castilho. 2018. Computational Modeling of Drugs Against Alzheimer’s Disease. Computational Modeling of Drugs Against Alzheimer’s Disease
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Sotirios Katsamakas & Dimitra Hadjipavlou-Litina. 2019. Multi-Target Drug Design Using Chem-Bioinformatic Approaches. Multi-Target Drug Design Using Chem-Bioinformatic Approaches
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Marco Catto, Daniela Trisciuzzi, Domenico Alberga, Giuseppe Felice Mangiatordi & Orazio Nicolotti. 2019. Multi-Target Drug Design Using Chem-Bioinformatic Approaches. Multi-Target Drug Design Using Chem-Bioinformatic Approaches
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Leonardo Pisani, Annalisa De Palma, Nicola Giangregorio, Daniela V. Miniero, Paolo Pesce, Orazio Nicolotti, Francesco Campagna, Cosimo D. Altomare & Marco Catto. (2017) Mannich base approach to 5-methoxyisatin 3-(4-isopropylphenyl)hydrazone: A water-soluble prodrug for a multitarget inhibition of cholinesterases, beta-amyloid fibrillization and oligomer-induced cytotoxicity. European Journal of Pharmaceutical Sciences 109, pages 381-388.
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Aminael Sánchez-Rodríguez, Yunierkis Pérez-Castillo, Stephan C. Schürer, Orazio Nicolotti, Giuseppe Felice Mangiatordi, Fernanda Borges, M. Natalia D.S. Cordeiro, Eduardo Tejera, José L. Medina-Franco & Maykel Cruz-Monteagudo. (2017) From flamingo dance to (desirable) drug discovery: a nature-inspired approach. Drug Discovery Today 22:10, pages 1489-1502.
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Kelly L. Johnston, Darren A. N. CookNeil G. Berry, W. David HongRachel H. Clare, Megan GoddardLouise Ford, Gemma L. Nixon, Paul M. O’NeillStephen A. Ward & Mark J. Taylor. (2017)
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Giuseppe Felice Mangiatordi, Domenico Alberga, Cosimo Damiano Altomare, Angelo Carotti, Marco Catto, Saverio Cellamare, Domenico Gadaleta, Gianluca Lattanzi, Francesco Leonetti, Leonardo Pisani, Angela Stefanachi, Daniela Trisciuzzi & Orazio Nicolotti. (2016) Mind the Gap! A Journey towards Computational Toxicology. Molecular Informatics 35:8-9, pages 294-308.
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Petra Schneider & Gisbert Schneider. (2016) De Novo Design at the Edge of Chaos. Journal of Medicinal Chemistry 59:9, pages 4077-4086.
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J. Willem M. Nissink, Sebastien Degorce & Ken Page. 2016. Lead Generation. Lead Generation
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Roberta Farina, Leonardo Pisani, Marco Catto, Orazio Nicolotti, Domenico Gadaleta, Nunzio Denora, Ramon Soto-Otero, Estefania Mendez-Alvarez, Carolina S. Passos, Giovanni Muncipinto, Cosimo D. Altomare, Alessandra Nurisso, Pierre-Alain Carrupt & Angelo Carotti. (2015)
Structure-Based Design and Optimization of Multitarget-Directed 2
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. Journal of Medicinal Chemistry 58:14, pages 5561-5578.
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Esteban López-Camacho, María Jesús García Godoy, José García-Nieto, Antonio J. Nebro & José F. Aldana-Montes. (2015) Solving molecular flexible docking problems with metaheuristics: A comparative study. Applied Soft Computing 28, pages 379-393.
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Yi Huang, Wei Jiang, Yang Xiao, Yi Wang & Yi Wang. (2014) Multiobjective Optimization on Antiplatelet Effects of Three Components Combination by Quantitative Composition-activity Relationship Modeling and Weighted-Sum Method. Chemical Biology & Drug Design 84:5, pages 513-521.
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Andrea Gissi, Andrey A. Toropov, Alla P. Toropova, Orazio Nicolotti, Angelo Carotti & Emilio Benfenati. (2013) Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method. Structural Chemistry 25:4, pages 1067-1073.
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Christos A. Nicolaou & Nathan Brown. (2013) Multi-objective optimization methods in drug design. Drug Discovery Today: Technologies 10:3, pages e427-e435.
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J Willem M NissinkSébastien Degorce. (2013) Analyzing compound and project progress through multi-objective-based compound quality assessment. Future Medicinal Chemistry 5:7, pages 753-767.
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Varnavas D. Mouchlis, Georgia Melagraki, Thomas Mavromoustakos, George Kollias & Antreas Afantitis. (2012) Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA. Journal of Chemical Information and Modeling 52:3, pages 711-723.
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