日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Prediction of UGT-mediated phase II metabolism via ligand- and structure-based predictive models

基于配体和结构的预测模型预测UGT介导的II期代谢

Bono, Ludovica; Lunghini, Filippo; Sabato, Emanuela; Biswas, Akash Deep; Mazzolari, Angelica; Pedretti, Alessandro; Beccari, Andrea R; Vistoli, Giulio; Vittorio, Serena

GENEOnet: a breakthrough in protein binding pocket detection using group equivariant non-expansive operators

GENEOnet:利用组等变非扩张算子在蛋白质结合口袋检测方面取得突破性进展

Bocchi, Giovanni; Frosini, Patrizio; Micheletti, Alessandra; Pedretti, Alessandro; Palermo, Gianluca; Gadioli, Davide; Gratteri, Carmen; Lunghini, Filippo; Biswas, Akash Deep; Stouten, Pieter F W; Beccari, Andrea R; Fava, Anna; Talarico, Carmine

Transformation of a Potent C9-Substituted Phenylmorphan into MOR Partial Agonists with Improvement of Metabolic Stability: An In Vitro, In Vivo, and In Silico Study

将一种强效的C9取代苯基吗啡烷转化为MOR部分激动剂并提高其代谢稳定性:一项体外、体内和计算机模拟研究

Hernandez, Delmis E; Luo, Dan; Prisinzano, Thomas E; Negus, S Stevens; Nassehi, Nima; Selley, Dana E; Shah, Pranav; Kato, Rintaro; Xu, Xin; Talarico, Carmine; Graziani, Davide; Beccari, Andrea R; Jacobson, Arthur E; Rice, Kenner C; Sulima, Agnieszka

Thiol-Reactive or Redox-Active: Revising a Repurposing Screen Led to a New Invalidation Pipeline and Identified a True Noncovalent Inhibitor Against Papain-like Protease from SARS-CoV-2.

硫醇反应性或氧化还原活性:修改重新定位筛选导致新的无效化流程,并鉴定出针对 SARS-CoV-2 木瓜蛋白酶样蛋白酶的真正非共价抑制剂

Kuzikov Maria, Morasso Stefano, Reinshagen Jeanette, Wolf Markus, Monaco Vittoria, Cozzolino Flora, Golič Grdadolnik Simona, Šket Primož, Plavec Janez, Iaconis Daniela, Summa Vincenzo, Corona Angela, Paulis Annalaura, Esposito Francesca, Tramontano Enzo, Monti Maria, Beccari Andrea R, Manelfi Candida, Windshügel Björn, Gribbon Philip, Storici Paola, Zaliani Andrea

Corrigendum to "Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities" [Comput Struct Biotechnol J vol. 23 (2024) 2141-2151]

对“利用基于结构的深度学习解决对接姿势选择问题:最新进展、挑战和机遇”的更正 [Comput Struct Biotechnol J vol. 23 (2024) 2141-2151]

Vittorio, Serena; Lunghini, Filippo; Morerio, Pietro; Gadioli, Davide; Orlandini, Sergio; Silva, Paulo; Martinovic, Jan; Pedretti, Alessandro; Bonanni, Domenico; Del Bue, Alessio; Palermo, Gianluca; Vistoli, Giulio; Beccari, Andrea R

Addressing docking pose selection with structure-based deep learning: Recent advances, challenges and opportunities

利用基于结构的深度学习解决对接姿态选择问题:最新进展、挑战与机遇

Vittorio, Serena; Lunghini, Filippo; Morerio, Pietro; Gadioli, Davide; Orlandini, Sergio; Silva, Paulo; Jan Martinovic; Pedretti, Alessandro; Bonanni, Domenico; Del Bue, Alessio; Palermo, Gianluca; Vistoli, Giulio; Beccari, Andrea R

MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions

MEDIATE——居家分子对接:将协作模拟转化为治疗方案

Vistoli, Giulio; Manelfi, Candida; Talarico, Carmine; Fava, Anna; Warshel, Arieh; Tetko, Igor V; Apostolov, Rossen; Ye, Yang; Latini, Chiara; Ficarelli, Federico; Palermo, Gianluca; Gadioli, Davide; Vitali, Emanuele; Varriale, Gaetano; Pisapia, Vincenzo; Scaturro, Marco; Coletti, Silvano; Gregori, Daniele; Gruffat, Daniel; Leija, Edgardo; Hessenauer, Sam; Delbianco, Alberto; Allegretti, Marcello; Beccari, Andrea R

A phase 2 randomized, double-blinded, placebo-controlled, multicenter trial evaluating the efficacy and safety of raloxifene for patients with mild to moderate COVID-19

一项评估雷洛昔芬治疗轻度至中度 COVID-19 患者的疗效和安全性的 II 期随机、双盲、安慰剂对照、多中心试验

Nicastri, Emanuele; Marinangeli, Franco; Pivetta, Emanuele; Torri, Elena; Reggiani, Francesco; Fiorentino, Giuseppe; Scorzolini, Laura; Vettori, Serena; Marsiglia, Carolina; Gavioli, Elizabeth Marie; Beccari, Andrea R; Terpolilli, Giuseppe; De Pizzol, Maria; Goisis, Giovanni; Mantelli, Flavio; Vaia, Francesco; Allegretti, Marcello

Characterization of raloxifene as a potential pharmacological agent against SARS-CoV-2 and its variants

雷洛昔芬作为抗SARS-CoV-2及其变种病毒的潜在药物的特性分析

Iaconis, Daniela; Bordi, Licia; Matusali, Giulia; Talarico, Carmine; Manelfi, Candida; Cesta, Maria Candida; Zippoli, Mara; Caccuri, Francesca; Bugatti, Antonella; Zani, Alberto; Filippini, Federica; Scorzolini, Laura; Gobbi, Marco; Beeg, Marten; Piotti, Arianna; Montopoli, Monica; Cocetta, Veronica; Bressan, Silvia; Bucci, Enrico M; Caruso, Arnaldo; Nicastri, Emanuele; Allegretti, Marcello; Beccari, Andrea R

PKD-dependent PARP12-catalyzed mono-ADP-ribosylation of Golgin-97 is required for E-cadherin transport from Golgi to plasma membrane

PKD依赖的PARP12催化的Golgin-97单ADP核糖基化是E-钙黏蛋白从高尔基体转运至质膜所必需的。

Grimaldi, Giovanna; Filograna, Angela; Schembri, Laura; Lo Monte, Matteo; Di Martino, Rosaria; Pirozzi, Marinella; Spano, Daniela; Beccari, Andrea R; Parashuraman, Seetharaman; Luini, Alberto; Valente, Carmen; Corda, Daniela