Alessandro-project

Finding Drugs for Poxviruses: Targeting the L1 Protein

This study computationally compares natural compounds and synthetic drugs, particularly antivirals, against known and novel protein targets of Poxviruses using Cresset Flare(computational software).

Structural Decoding of Neuroleptic Adverse Reactions: Multitarget Affinity Analysis and Receptor Compromise via Deep Learning

This study employs AlphaFold 3 and blind docking to examine how antipsychotics induce side effects by acting as biophysical constraints on critical targets such as nAChR, AChE, hERG, and D2. Findings indicate that iatrogenic events, including akathisia and cardiotoxicity, result from nonspecific steric hindrance and synaptic rigidity.

In Silico Antiviral Potential of Essential Oil Compounds Against Chikungunya Virus: A Molecular Docking Evaluation

This study investigated the dual potential of essential oil compounds as both mosquito repellents and Chikungunya virus (CHIKV) inhibitors via molecular docking. Results showed that terpenes and Ibuprofen exhibit strong binding affinities to key CHIKV proteins, suggesting their potential as novel antiviral agents.

Low-Cost Phytochemical Methods: From the Characterization of Artemisia Annua to the Development of Biorepellent Formulations

This study details low-cost methods for analyzing Artemisia annua and creating a natural repellent from essential oils. It also explores the potential of consuming powdered Artemisia annua seeds for better bioavailability. This research aims to provide practical, accessible solutions in phytochemistry for resource-limited settings.

Investigating the Effectiveness of Natural Biopesticides: Testing Essential Oils and Wormwood Extract on Hazelnut and Asian Bed Bugs Vs Acetamiprid

This study explores the potential of essential oils applied directly to the bed bug’s metathorax as a natural control method.

Exploring the Binding Profiles of Natural Compounds and BTK Inhibitors: A Docking and Electrostatic Study

This study investigates the interactions between natural compounds and BTK inhibitors using computational docking and electrostatic complementarity analyses. We performed in silico docking studies with Flare Cresset, comparing known BTK inhibitors with compounds from various natural sources.

Taste: Analogues of The Neurotransmitters Acetylcholine Serotonin and Norepinephrine Increase or Modify The Perception of Flavor

This research uses computational methods to compare flavor compounds from foods (beer, cocoa) with key neurotransmitters (ACh, Ser, NE). A linear trend was observed between beer volatiles' structural similarity to acetylcholine and their olfactory thresholds, implying a role in flavor perception

TestBio: An In Silico Tool for the Estimation of Phytocomplex Bioactivity

TestBio is a web-based tool that predicts the potential bioactivity of plant extracts (phytocomplexes). By analyzing the chemical structures of the compounds within the extract, TestBio compares them against a library of known bioactive compounds.

Steam Distillation of Rosemary, Russian Tarragon, and Sage with Urea Solution Laboratory Notes

This study presents a novel method for extracting essential oils from medicinal plants, specifically rosemary (Salvia rosmarinus), Russian tarragon (Artemisia dracunculus), and sage (Salvia officinalis). The distillation process involves generating steam from a 10% urea solution

Comparison of Ammonia and Water Vapor Steam Distillation for Thin Layer Chromatography of Essential Oils from Rosmarinus Officinalis, Salvia Officinalis, and Lavandula Species

This study project investigates the extraction of essential oils (E.O.) from lavender, sage, and rosemary using ammonia vapor generated by the reaction of ammonium sulfate, ammonium phosphate, and sodium hydroxide with water vapor.