Ergonomic recommendations in ultrasound-guided botulinum neurotoxin chemodenervation for spasticity: An international expert group opinion

P Lagnau, A Lo, R Sandarage, K Alter, A Picelli… - Toxins, 2021 - mdpi.com
Ultrasound (US)-guided botulinum neurotoxin (BoNT) injections are becoming a mainstay in
the treatment of muscle spasticity in upper motor neuron syndromes. As a result, there has …

Targeting the SARS-CoV-2 HR1 with small molecules as inhibitors of the fusion process

D Gentile, A Coco, V Patamia, C Zagni… - International Journal of …, 2022 - mdpi.com
The rapid and global propagation of the novel human coronavirus that causes severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) has produced an immediate urgency to …

An Integrated In Silico and In Vitro Approach for the Identification of Natural Products Active against SARS-CoV-2

R Pennisi, D Gentile, A Rescifina, E Napoli, P Trischitta… - Biomolecules, 2023 - mdpi.com
Coronavirus disease 2019 (COVID-19), caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), has provoked a global health crisis due to the absence of a …

1, 2-Dibenzoylhydrazine as a multi-inhibitor compound: A morphological and docking study

V Patamia, G Floresta, C Zagni, V Pistarà… - International Journal of …, 2023 - mdpi.com
In the framework of the multitarget inhibitor study, we report an in silico analysis of 1, 2-
dibenzoylhydrazine (DBH) with respect to three essential receptors such as the ecdysone …

Structural investigation of tetrahydropteridin analogues as selective PLK1 inhibitors for treating cancer through combined QSAR techniques, molecular docking, and …

JB Tong, D Luo, S Bian, X Zhang - Journal of Molecular Liquids, 2021 - Elsevier
The forced expression of Polo-like kinase 1 (PLK1) was found to be carcinogenic, making
PLK1 an attractive drug target for the treatment of tumor diseases. Drugs that can …

Heparan sulfate and enoxaparin interact at the interface of the spike protein of HCoV-229E but not with HCoV-OC43

V Fuochi, G Floresta, R Emma, V Patamia, M Caruso… - Viruses, 2023 - mdpi.com
It is known that the spike protein of human coronaviruses can bind to a secondary receptor,
or coreceptor, to facilitate the virus entry. While HCoV-229E uses human aminopeptidase N …

Targeting Viral and Cellular Cysteine Proteases for Treatment of New Variants of SARS-CoV-2

D Gentile, L Chiummiento, A Santarsiere, M Funicello… - Viruses, 2024 - mdpi.com
The continuous emergence of SARS-CoV-2 variants caused the persistence of the COVID-
19 epidemic and challenged the effectiveness of the existing vaccines. The viral proteases …

A Deep Learning-Based Quantitative Structure–Activity Relationship System Construct Prediction Model of Agonist and Antagonist with High Performance

Y Matsuzaka, Y Uesawa - International Journal of Molecular Sciences, 2022 - mdpi.com
Molecular design and evaluation for drug development and chemical safety assessment
have been advanced by quantitative structure–activity relationship (QSAR) using artificial …

Machine learning vs. field 3D-QSAR models for serotonin 2A receptor psychoactive substances identification

G Floresta, V Abbate - RSC advances, 2021 - pubs.rsc.org
Serotonergic psychedelics, substances exerting their effects primarily through the serotonin
2A receptor (5HT2AR), continue to comprise a substantial portion of reported new …

Growing the molecular architecture of imidazole-like ligands in HO-1 complexes

G Floresta, AN Fallica, L Salerno, V Sorrenti… - Bioorganic …, 2021 - Elsevier
Up-regulation of HO-1 had been frequently reported in different cases and types of human
malignancies. Since poor clinical outcomes are reported in these cases, this enzyme's …