Pietro Delre

RECENT SCHOLAR PUBLICATIONS

VeGA-RX and VeGA-SCX: Controllable SMARTS-Guided Generative Transformers for Precision-Driven De Novo Drug Design
P Delre, G Bellofatto, A Lavecchia
Journal of Chemical Information and Modeling , 2026
2026
Development of Second-Generation Phenoxyethylpiperidines as Potent Sigma-1 Receptor Agonists with Neuroprotective Potential for Alzheimer’s Disease
F Mastropasqua, AT Lisi, L Crouzier, GR Musillo, FS Abatematteo, M Niso, ...
Journal of Medicinal Chemistry , 2026
2026
Citations: 1
AI-Driven Discovery of microRNA Targets for Disease Therapy and Drug Development
P Delre, C Cerchia, A Lavecchia
Applied Artificial Intelligence for Drug Discovery: From Data-Driven … , 2026
2026
Artificial Intelligence in Ligand-Based Drug Design
P Delre, C Cerchia, E Falbo, A Lavecchia
Applied Artificial Intelligence for Drug Discovery: From Data-Driven … , 2026
2026
Citations: 1
Artificial Intelligence in Structure-Based Drug Design
E Falbo, P Delre, C Cerchia, A Lavecchia
Applied Artificial Intelligence for Drug Discovery: From Data-Driven … , 2026
2026
Artificial Intelligence in De Novo Drug Design
C Cerchia, P Delre, E Falbo, A Lavecchia
Applied Artificial Intelligence for Drug Discovery: From Data-Driven … , 2026
2026
Citations: 3
Structural and functional characterization of chemically modified antisense oligonucleotides targeting miR-214-3p in endothelial cells
E Caiazzo, P Delre, C Cerchia, G Madonna, I Bello, C Aliberti, D Benigno, ...
Bioorganic Chemistry, 109342 , 2025
2025
Artificial intelligence in the development of small nucleic acid therapeutics: toward smarter and safer medicines
P Delre, C Cerchia, A Lavecchia
Drug Discovery Today, 104488 , 2025
2025
Citations: 6
VeGA: A Versatile Generative Architecture for Bioactive Molecules across Multiple Therapeutic Targets
P Delre, A Lavecchia
Journal of Chemical Information and Modeling 65 (20), 10918-10931 , 2025
2025
Citations: 1
Secoiridoid-enriched extra virgin olive oil extracts enhance mitochondrial activity and antioxidant response in colorectal cancer cells: The role of Oleacein and Oleocanthal in …
M Leo, C Mancini, G Lori, P Delre, I Ferraris, F Lucchini, A Molinario, ...
Free Radical Biology and Medicine 235, 56-72 , 2025
2025
Citations: 10
From Apo to Ligand-Bound: Unraveling PPARγ-LBD Conformational Shifts via Advanced Molecular Dynamics
E Falbo, P Delre, A Lavecchia
ACS omega 10 (13), 13303-13318 , 2025
2025
Citations: 6
Identification of a cannabinoid receptor 2 allosteric site using computational Modeling and pharmacological analysis
Z Farooq, P Delre, S Iliadis, GF Mangiatordi, M Contino, LA Howell, ...
ACS Pharmacology & Translational Science 8 (2), 423-434 , 2025
2025
Citations: 5
Shedding light on the HSAB-guided sulfur–selenium antagonism in mercury coordination and reactivity toward biologically relevant systems: a DFT and MD study
P Delre, A Chahine, GF Mangiatordi, D Alberga, M Saviano, G Valverdu, ...
Physical Chemistry Chemical Physics 27 (31), 16644-16663 , 2025
2025
Citations: 7
A CD Study of a Structure-Based Selection of N -Heterocyclic Bis-Carbene Gold(I) Complexes as Potential Ligands of the G-Quadruplex-Forming Human Telomeric …
M Marzano, F Prencipe, P Delre, GF Mangiatordi, G Travagliante, ...
Molecules 29 (22), 5446 , 2024
2024
Citations: 4
Structure-based design of multitargeting ChEs-MAO B inhibitors based on phenyl ring bioisosteres: AChE/BChE selectivity switch and drug-like characterization
G La Spada, DV Miniero, M Rullo, M Cipolloni, P Delre, C Colliva, ...
European Journal of Medicinal Chemistry 274, 116511 , 2024
2024
Citations: 11
N -Adamantyl-1-alkyl-4-oxo-1,4-dihydroquinoline-3-carboxamide Derivatives as Fluorescent Probes to Detect Microglia Activation through the Imaging of …
F Intranuovo, M Majellaro, F Mastropasqua, P Delre, FS Abatematteo, ...
Journal of Medicinal Chemistry 67 (13), 11003-11023 , 2024
2024
Citations: 5
DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation
D Alberga, G Lamanna, G Graziano, P Delre, MC Lomuscio, N Corriero, ...
Computers in Biology and Medicine 175, 108486 , 2024
2024
Citations: 25
Structural basis for specific inhibition of salicylate synthase from Mycobacterium abscessus
M Mori, M Cocorullo, A Tresoldi, G Cazzaniga, A Gelain, G Stelitano, ...
European Journal of Medicinal Chemistry 265, 116073 , 2024
2024
Citations: 6
DypB peroxidase for aflatoxin removal: new insights into the toxin degradation process
V Mangini, E Rosini, R Caliandro, GF Mangiatordi, P Delre, ...
Chemosphere 349, 140826 , 2024
2024
Citations: 12
AMALPHI: a machine learning platform for predicting drug-induced PhospholIpidosis
MC Lomuscio, C Abate, D Alberga, A Laghezza, N Corriero, NA Colabufo, ...
Molecular pharmaceutics 21 (2), 864-872 , 2023
2023
Citations: 9

MOST CITED SCHOLAR PUBLICATIONS

Structure-based prediction of hERG-related cardiotoxicity: a benchmark study
TM Creanza, P Delre, N Ancona, G Lentini, M Saviano, GF Mangiatordi
Journal of Chemical Information and Modeling 61 (9), 4758-4770 , 2021
2021
Citations: 104
Repurposing known drugs as covalent and non-covalent inhibitors of the SARS-CoV-2 papain-like protease
P Delre, F Caporuscio, M Saviano, GF Mangiatordi
Frontiers in Chemistry 8, 594009 , 2020
2020
Citations: 60
Cannabinoid receptor subtype 2 (CB2R) in a multitarget approach: perspective of an innovative strategy in cancer and neurodegeneration
GF Mangiatordi, F Intranuovo, P Delre, FS Abatematteo, C Abate, M Niso, ...
Journal of Medicinal Chemistry 63 (23), 14448-14469 , 2020
2020
Citations: 47
DeLA-Drug: a deep learning algorithm for automated design of druglike analogues
TM Creanza, G Lamanna, P Delre, M Contino, N Corriero, M Saviano, ...
Journal of chemical information and modeling 62 (6), 1411-1424 , 2022
2022
Citations: 41
Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques
P Delre, GJ Lavado, G Lamanna, M Saviano, A Roncaglioni, E Benfenati, ...
Frontiers in Pharmacology 13, 951083 , 2022
2022
Citations: 40
Radiosynthesis and characterization of [ 18 F]BS224: a next-generation TSPO PET ligand insensitive to the rs6971 polymorphism
SH Lee, N Denora, V Laquintana, GF Mangiatordi, A Lopedota, A Lopalco, ...
European Journal of Nuclear Medicine and Molecular Imaging 49 (1), 110-124 , 2021
2021
Citations: 32
GENERA: a combined genetic/deep-learning algorithm for multiobjective target-oriented de novo design
G Lamanna, P Delre, G Marcou, M Saviano, A Varnek, D Horvath, ...
Journal of Chemical Information and Modeling 63 (16), 5107-5119 , 2023
2023
Citations: 26
DeLA-DrugSelf: Empowering multi-objective de novo design through SELFIES molecular representation
D Alberga, G Lamanna, G Graziano, P Delre, MC Lomuscio, N Corriero, ...
Computers in Biology and Medicine 175, 108486 , 2024
2024
Citations: 25
Bioisosteric replacement based on 1, 2, 4-oxadiazoles in the discovery of 1H-indazole-bearing neuroprotective MAO B inhibitors
M Rullo, G La Spada, DV Miniero, A Gottinger, M Catto, P Delre, ...
European Journal of Medicinal Chemistry 255, 115352 , 2023
2023
Citations: 23
More is always better than one: the N-terminal domain of the spike protein as another emerging target for hampering the SARS-CoV-2 attachment to host cells
S Di Gaetano, D Capasso, P Delre, L Pirone, M Saviano, E Pedone, ...
International journal of molecular sciences 22 (12), 6462 , 2021
2021
Citations: 21
Controlling the Binding Efficiency of Surface Confined Antibodies through the Design of Mixed Self‐Assembled Monolayers
L Sarcina, P Delre, G Graziano, A Stefanachi, D Blasi, RA Picca, ...
Advanced Materials Interfaces 10 (12), 2300017 , 2023
2023
Citations: 18
Targeting siderophore-mediated iron uptake in M. abscessus: a new strategy to limit the virulence of non-tuberculous mycobacteria
M Mori, G Stelitano, G Cazzaniga, A Gelain, A Tresoldi, M Cocorullo, ...
Pharmaceutics 15 (2), 502 , 2023
2023
Citations: 17
Development of N -(1-Adamantyl)benzamides as Novel Anti-Inflammatory Multitarget Agents Acting as Dual Modulators of the Cannabinoid CB2 Receptor and Fatty …
F Intranuovo, L Brunetti, P DelRe, GF Mangiatordi, A Stefanachi, ...
Journal of Medicinal Chemistry 66 (1), 235-250 , 2022
2022
Citations: 15
DypB peroxidase for aflatoxin removal: new insights into the toxin degradation process
V Mangini, E Rosini, R Caliandro, GF Mangiatordi, P Delre, ...
Chemosphere 349, 140826 , 2024
2024
Citations: 12
Structure-based design of multitargeting ChEs-MAO B inhibitors based on phenyl ring bioisosteres: AChE/BChE selectivity switch and drug-like characterization
G La Spada, DV Miniero, M Rullo, M Cipolloni, P Delre, C Colliva, ...
European Journal of Medicinal Chemistry 274, 116511 , 2024
2024
Citations: 11
Secoiridoid-enriched extra virgin olive oil extracts enhance mitochondrial activity and antioxidant response in colorectal cancer cells: The role of Oleacein and Oleocanthal in …
M Leo, C Mancini, G Lori, P Delre, I Ferraris, F Lucchini, A Molinario, ...
Free Radical Biology and Medicine 235, 56-72 , 2025
2025
Citations: 10
A conformational rearrangement of the SARS-CoV-2 host protein sigma-1 is required for antiviral activity: insights from a combined in-silico/in-vitro approach
FS Abatematteo, P Delre, I Mercurio, VV Rezelj, D Siliqi, S Beaucourt, ...
Scientific Reports 13 (1), 12798 , 2023
2023
Citations: 10
AMALPHI: a machine learning platform for predicting drug-induced PhospholIpidosis
MC Lomuscio, C Abate, D Alberga, A Laghezza, N Corriero, NA Colabufo, ...
Molecular pharmaceutics 21 (2), 864-872 , 2023
2023
Citations: 9
ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators
P Delre, M Contino, D Alberga, M Saviano, N Corriero, GF Mangiatordi
Computers in biology and medicine 164, 107314 , 2023
2023
Citations: 9
Endocannabinoid degradation enzyme inhibitors as potential antipsychotics: a medicinal chemistry perspective
GF Mangiatordi, MM Cavalluzzi, P Delre, G Lamanna, MC Lumuscio, ...
Biomedicines 11 (2), 469 , 2023
2023
Citations: 8