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Gabriele Cruciani

Gabriele Cruciani

D-Index & Metrics

Chemistry

D-Index
67
Citations
15869
World Ranking
6902
National Ranking
162

Overview

Gabriele Cruciani is affiliated with the University of Perugia in Italy and has contributed extensively to the fields of biochemistry, genetics, molecular biology, and medicine. Their work spans multiple subfields including molecular biology, oncology, computational theory and mathematics, infectious diseases, and organic chemistry.

The scientist's research interests focus on several key topics including computational drug discovery methods, protein degradation and inhibitors, peptidase inhibition and analysis, ubiquitin and proteasome pathways, metabolomics and mass spectrometry studies, estrogen and related hormone effects, and protein structure and dynamics.

Recent publications authored or coauthored by Gabriele Cruciani include the following:

  • Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications (2020, Journal of Medicinal Chemistry)
  • SARS-CoV-2 Survival on Surfaces and the Effect of UV-C Light (2021, Viruses)
  • Effects of MTX-23, a Novel PROTAC of Androgen Receptor Splice Variant-7 and Androgen Receptor, on CRPC Resistant to Second-Line Antiandrogen Therapy (2020, Molecular Cancer Therapeutics)
  • SARS-CoV2 infection impairs the metabolism and redox function of cellular glutathione (2021, Redox Biology)
  • Indomethacin-based PROTACs as pan-coronavirus antiviral agents (2021, European Journal of Medicinal Chemistry)

Gabriele Cruciani frequently collaborates with several researchers including:

  • Laura Goracci
  • Simon Cross
  • Massimo Baroni
  • Lydia Siragusa
  • Jenny Desantis

The scientist has published repeatedly in prominent venues, with multiple contributions to:

  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of Chemical Information and Modeling
  • Journal of Medicinal Chemistry
  • Free Radical Biology and Medicine
  • Scientific Reports

Best Publications

  • Molecular fields in quantitative structure–permeation relationships: the VolSurf approach

    G. Cruciani;P. Crivori;P.-A. Carrupt;B. Testa

  • GRid-INdependent Descriptors (GRIND) : A novel class of alignment-independent three-dimensional molecular Descriptors

    Manuel Pastor;Gabriele Cruciani;Iain McLay;Stephen Pickett

  • Predicting Blood−Brain Barrier Permeation from Three-Dimensional Molecular Structure

    Patrizia Crivori;Gabriele Cruciani;Pierre-Alain Carrupt;Bernard Testa

  • Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D‐QSAR Problems

    Massimo Baroni;Gabriele Costantino;Gabriele Cruciani;Daniela Riganelli

  • MetaSite: understanding metabolism in human cytochromes from the perspective of the chemist.

    Gabriele Cruciani;Emanuele Carosati;Benoit De Boeck;Kantharaj Ethirajulu

  • VolSurf: a new tool for the pharmacokinetic optimization of lead compounds.

    Gabriele Cruciani;Manuel Pastor;Wolfgang Guba

  • A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.

    Massimo Baroni;Gabriele Cruciani;Simone Sciabola;Francesca Perruccio

  • Vitamin E: Emerging aspects and new directions.

    Francesco Galli;Angelo Azzi;Marc Birringer;Joan M. Cook-Mills

  • Antileishmanial Chalcones: Statistical Design, Synthesis, and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

    Simon Feldbæk Nielsen;Søren Brøgger Christensen;Gabriele Cruciani;and Arsalan Kharazmi

  • New and original pKa prediction method using grid molecular interaction fields.

    Francesca Milletti;Loriano Storchi;Gianluca Sforna;Gabriele Cruciani

  • Hydrogen Bonding Interactions of Covalently Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field

    Emanuele Carosati;Simone Sciabola;Gabriele Cruciani

  • Computational approaches to identifying and characterizing protein binding sites for ligand design.

    Stefan Henrich;Outi M. H. Salo-Ahen;Bingding Huang;Friedrich F. Rippmann

  • GRID/CPCA: a new computational tool to design selective ligands.

    Mika A. Kastenholz;Manuel Pastor;Gabriele Cruciani;and Eric E. J. Haaksma

  • A Novel Approach for Predicting P-glycoprotein (ABCB1) Inhibition Using Molecular Interaction Fields

    Fabio Broccatelli;Emanuele Carosati;Annalisa Neri;Maria Frosini

  • Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b

    Gabriele Cruciani;Kimberly A. Watson

  • Predicting Drug Metabolism: A Site of Metabolism Prediction Tool Applied to the Cytochrome P450 2C9

    Ismael Zamora;Lovisa Afzelius;Gabriele Cruciani

  • Smart region definition: a new way to improve the predictive ability and interpretability of three-dimensional quantitative structure-activity relationships.

    Manuel Pastor;Gabriele Cruciani;Sergio Clementi

  • Tautomer enumeration and stability prediction for virtual screening on large chemical databases.

    Francesca Milletti;Loriano Storchi;Gianluca Sforna;Simon Cross

  • 1,4-Dihydropyridine Scaffold in Medicinal Chemistry, The Story So Far And Perspectives (Part 2): Action in Other Targets and Antitargets

    E. Carosati;Pierfranco Ioan;Matteo Micucci;F. Broccatelli

  • LC/MS lipid profiling from human serum: a new method for global lipid extraction.

    Roberto Maria Pellegrino;Alessandra Di Veroli;Aurora Valeri;Laura Goracci

  • Predictive ability of regression models. Part II: Selection of the best predictive PLS model

    Massimo Baroni;Sergio Clementi;Gabriele Cruciani;Gabriele Costantino

  • Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)†

    Gabriele Cruciani;Massimo Baroni;Sergio Clementi;Gabrielle Costantino

Frequent Co-Authors

Giorgio Palù
Giorgio Palù University of Padua
Rebecca C. Wade
Rebecca C. Wade Heidelberg Institute for Theoretical Studies
Pierre-Alain Carrupt
Pierre-Alain Carrupt École Polytechnique Fédérale de Lausanne
Bernard Testa
Bernard Testa University of Lausanne
Valerio Nobili
Valerio Nobili Sapienza University of Rome
Stefano Alcaro
Stefano Alcaro Magna Graecia University
Francesco Ortuso
Francesco Ortuso Magna Graecia University
Chiara Dall’Asta
Chiara Dall’Asta University of Parma
Simon S. Cross
Simon S. Cross University of Sheffield
Glenn W. Kaatz
Glenn W. Kaatz Wayne State University

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