Adipocyte fatty acid binding protein 4 (FABP4) inhibitors. A comprehensive systematic review

G Floresta, V Pistarà, E Amata, M Dichiara… - European journal of …, 2017 - Elsevier
Small molecule inhibitors of adipocyte fatty acid binding protein 4 (FABP4) have attracted
interest following the recent publications of beneficial pharmacological effects of these …

Novel Sigma-1 receptor antagonists: from opioids to small molecules: what is new?

E Arena, M Dichiara, G Floresta, C Parenti… - Future medicinal …, 2018 - Taylor & Francis
Sigma-1 (σ1) receptor has been identified as a chaperone protein that interacts with other
proteins, such as N-methyl-D-aspartate (NMDA) and opioid receptors, modulating their …

Development of prediction model for fructose-1, 6-bisphosphatase inhibitors using the Monte Carlo method

Manisha, S Chauhan, P Kumar… - SAR and QSAR in …, 2019 - Taylor & Francis
ABSTRACT Fructose-1, 6-bisphosphatase (FBPase) is an enzyme important for regulation of
gluconeogenesis, which is a major process in the liver responsible for glucose production …

QSPR and nano-QSPR: What is the difference?

AP Toropova, AA Toropov - Journal of Molecular Structure, 2019 - Elsevier
The large number of quantitative structure-property/activity relationships (QSPRs/QSARs) for
nanomaterials were published. Majority of these are latent traditional QSPR/QSAR in spite of …

Does the index of ideality of correlation detect the better model correctly?

AP Toropova, AA Toropov - Molecular Informatics, 2019 - Wiley Online Library
The CORAL software is a tool to build up predictive models for various endpoints by means
of Quantitative Structure‐Property/Activity Relationships (QSPRs/QSARs). A new criterion for …

Repurposing of FDA‐Approved Drugs for Treating Iatrogenic Botulism: A Paired 3D‐QSAR/Docking Approach

G Floresta, V Patamia, D Gentile, F Molteni… - …, 2020 - Wiley Online Library
Botulinum neurotoxin (BoNT) is widely used for the treatment of spasticity, focal dystonia,
chronic migraine, facial hemispasm, and facial aesthetic treatments. Generally, treatment …

Discovery of high-affinity cannabinoid receptors ligands through a 3D-QSAR ushered by scaffold-hopping analysis

G Floresta, O Apirakkan, A Rescifina, V Abbate - Molecules, 2018 - mdpi.com
Two 3D quantitative structure–activity relationships (3D-QSAR) models for predicting
Cannabinoid receptor 1 and 2 (CB1 and CB2) ligands have been produced by way of …

A structure-and ligand-based virtual screening of a database of “Small” marine natural products for the identification of “Blue” Sigma-2 receptor ligands

G Floresta, E Amata, C Barbaraci, D Gentile… - Marine Drugs, 2018 - mdpi.com
Sigma receptors are a fascinating receptor protein class whose ligands are actually under
clinical evaluation for the modulation of opioid analgesia and their use as positron emission …

3D-QSAR assisted identification of FABP4 inhibitors: An effective scaffold hopping analysis/QSAR evaluation

G Floresta, A Cilibrizzi, V Abbate, A Spampinato… - Bioorganic …, 2019 - Elsevier
Following on the recent publication of pharmacologically relevant effects, small molecule
inhibitors of adipocyte fatty-acid binding protein 4 (FABP4) have attracted high interest …

Fourfold filtered statistical/computational approach for the identification of imidazole compounds as HO-1 inhibitors from natural products

G Floresta, E Amata, D Gentile, G Romeo, A Marrazzo… - Marine Drugs, 2019 - mdpi.com
Over-regulation of Heme oxygenase 1 (HO-1) has been recently identified in many types of
human cancer, and in these cases, poor clinical outcomes are normally reported. Indeed …