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D-Index & Metrics

Chemistry

D-Index
49
Citations
8584
World Ranking
14823
National Ranking
524

Overview

Antonio Lavecchia is affiliated with the University of Naples Federico II in Italy. Their research primarily spans the fields of Biochemistry, Genetics and Molecular Biology, with a significant focus on Medicine as well. Within these broader areas, their work concentrates on several subfields including Molecular Biology, Computational Theory and Mathematics, Physiology, Materials Chemistry, and Organic Chemistry.

The scientist's research topics are diverse, prominently featuring Computational Drug Discovery Methods, Peroxisome Proliferator-Activated Receptors, and Machine Learning in Materials Science. Other areas of focus include Genetics, Bioinformatics, and Biomedical Research, Eicosanoids and Hypertension Pharmacology, Microbial Natural Products and Biosynthesis, as well as Protein Structure and Dynamics.

Antonio Lavecchia has contributed to multiple research papers, some of which are listed below with their publication year and venue:

  • Unleashing the power of generative AI in drug discovery, 2024, Drug Discovery Today
  • New avenues in artificial-intelligence-assisted drug discovery, 2023, Drug Discovery Today
  • Artificial Intelligence in Natural Product Drug Discovery: Current Applications and Future Perspectives, 2025, Journal of Medicinal Chemistry
  • Current status and future prospects of molecular hybrids with thiazolidinedione (TZD) scaffold in anticancer drug discovery, 2021, Journal of Molecular Structure
  • Pharmacophore hybridization approach to discover novel pyrazoline-based hydantoin analogs with anti-tumor efficacy, 2020, Bioorganic Chemistry

The scientist frequently publishes in several notable venues, with a notable number of contributions in:

  • Drug Discovery Today
  • European Journal of Medicinal Chemistry
  • Journal of Medicinal Chemistry
  • International Journal of Molecular Sciences
  • Journal of Chemical Information and Modeling

Antonio Lavecchia collaborates with various co-authors in their research. Frequent collaborators include:

  • Carmen Cerchia
  • Fulvio Loiodice
  • Antonio Laghezza
  • Amit Gangwal
  • C. S. Ramaa

Best Publications

  • Machine-learning approaches in drug discovery: methods and applications.

    Antonio Lavecchia

  • Virtual screening strategies in drug discovery: a critical review.

    A Lavecchia;C Di Giovanni

  • Deep learning in drug discovery: opportunities, challenges and future prospects

    Antonio Lavecchia

  • In silico methods to address polypharmacology: current status, applications and future perspectives.

    Antonio Lavecchia;Carmen Cerchia

  • Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure-activity relationships and molecular modeling studies

    Giuseppe La Regina;Michael C. Edler;Andrea Brancale;Sahar Kandil

  • Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide.

    Rino Ragno;Antonio Coluccia;Giuseppe La Regina;Gabriella De Martino

  • Pyrido[1,2-a]pyrimidin-4-one derivatives as a novel class of selective aldose reductase inhibitors exhibiting antioxidant activity.

    Concettina La Motta;Stefania Sartini;Laura Mugnaini;Francesca Simorini

  • Docking studies on αvβ3 integrin ligands: Pharmacophore refinement and implications for drug design

    Luciana Marinelli;Antonio Lavecchia;Kay-E. Gottschalk;Ettore Novellino

  • Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.

    Giorgio Pochetti;Cristina Godio;Nico Mitro;Donatella Caruso

  • New Pyrrole Inhibitors of Monoamine Oxidase: Synthesis, Biological Evaluation, and Structural Determinants of MAO-A and MAO-B Selectivity

    Giuseppe La Regina;Romano Silvestri;Marino Artico;Antonio Lavecchia

  • Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design

    Roberta Montanari;Fulvio Saccoccia;Elena Scotti;Maurizio Crestani

  • Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action.

    Roberto Di Santo;Roberta Costi;Alessandra Roux;Marino Artico

  • Characterizing the 1,4-dihydropyridines binding interactions in the L-type Ca2+ channel: model construction and docking calculations.

    Sandro Cosconati;Luciana Marinelli;and Antonio Lavecchia;Ettore Novellino

  • Synthesis, pharmacological characterization, and docking analysis of a novel family of diarylisoxazoles as highly selective cyclooxygenase-1 (COX-1) inhibitors.

    Paola Vitale;Stefania Tacconelli;Maria Grazia Perrone;Paola Malerba

  • Structure-activity studies of the melanocortin peptides: discovery of potent and selective affinity antagonists for the hMC3 and hMC4 receptors

    Paolo Grieco;Antonio Lavecchia;Minying Cai;Devendra Trivedi

  • Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.

    Davide Capelli;Carmen Cerchia;Roberta Montanari;Fulvio Loiodice

  • Ligand Binding Analysis for Human α5β1 Integrin: Strategies for Designing New α5β1 Integrin Antagonists

    Luciana Marinelli;Axel Meyer;Dominik Heckmann;Antonio Lavecchia

  • Antitumor agents. 3. Design, synthesis, and biological evaluation of new pyridoisoquinolindione and dihydrothienoquinolindione derivatives with potent cytotoxic activity.

    Adele Bolognese;Gaetano Correale;Michele Manfra;Antonio Lavecchia

  • Design and synthesis of 2-heterocyclyl-3-arylthio-1H-indoles as potent tubulin polymerization and cell growth inhibitors with improved metabolic stability.

    Giuseppe La Regina;Ruoli Bai;Willeke Rensen;Antonio Coluccia

  • New avenues in artificial-intelligence-assisted drug discovery

    Unknown

  • STAT-3 Inhibitors: State of the Art and New Horizons for Cancer Treatment

    A. Lavecchia;C. Di Giovanni;E. Novellino

  • Synthesis, Cannabinoid Receptor Affinity, and Molecular Modeling Studies of Substituted 1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides

    Romano Silvestri;Maria Grazia Cascio;Giuseppe La Regina;Francesco Piscitelli

  • CDC25 phosphatase inhibitors: an update.

    A. Lavecchia;C. Di Giovanni;E. Novellino

  • Modeling of Cdc25B dual specifity protein phosphatase inhibitors: docking of ligands and enzymatic inhibition mechanism.

    Antonio Lavecchia;Sandro Cosconati;Vittorio Limongelli;Ettore Novellino

  • Inhibitors of Cdc25 phosphatases as anticancer agents: a patent review.

    Antonio Lavecchia;Carmen Di Giovanni;Ettore Novellino

Frequent Co-Authors

Ettore Novellino
Ettore Novellino University of Naples Federico II
Claudia Martini
Claudia Martini University of Pisa
Federico Da Settimo
Federico Da Settimo University of Pisa
Karl-Norbert Klotz
Karl-Norbert Klotz University of Würzburg
Romano Silvestri
Romano Silvestri Sapienza University of Rome
Marino Artico
Marino Artico Sapienza University of Rome
Nico Mitro
Nico Mitro University of Milan
Livio Luongo
Livio Luongo University of Campania "Luigi Vanvitelli"
Sabatino Maione
Sabatino Maione University of Campania "Luigi Vanvitelli"
Paolo La Colla
Paolo La Colla University of Cagliari

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