A5003256018- Essential Oils and Antimicrobial Activity
- Computational Drug Discovery Methods
- HIV/AIDS drug development and treatment
- Click Chemistry and Applications
- Synthesis and biological activity
- Histone Deacetylase Inhibitors Research
- Protein Degradation and Inhibitors
- HIV Research and Treatment
- Phytochemistry and Biological Activities
- Peptidase Inhibition and Analysis
- Epigenetics and DNA Methylation
- Natural product bioactivities and synthesis
- Bioactive Compounds and Antitumor Agents
- Biochemical and Molecular Research
- Cell death mechanisms and regulation
- Synthesis and Biological Evaluation
- Chemical Synthesis and Analysis
- Estrogen and related hormone effects
- Protein Structure and Dynamics
- Bacterial biofilms and quorum sensing
- Pneumocystis jirovecii pneumonia detection and treatment
- Quinazolinone synthesis and applications
- Synthesis and Characterization of Heterocyclic Compounds
- Autophagy in Disease and Therapy
- Insect Pest Control Strategies
Sapienza University of Rome
2016-2025
Società Italiana di Fisica
2022
Istituto Pasteur
2002-2012
Rutgers New Jersey Medical School
2010
Universitat Autònoma de Barcelona
2006-2008
Hospital Universitari Germans Trias i Pujol
2006-2008
Istituto di Genetica Molecolare
2006-2008
Volgograd State Technical University
2008
Howard Hughes Medical Institute
2007
University of Salerno
2002-2007
Chlamydia trachomatis , the most common cause of sexually transmitted bacterial infection worldwide, has a unique biphasic developmental cycle alternating between infectious elementary body and replicative reticulate body. C. is responsible for severe reproductive complications including pelvic inflammatory disease, ectopic pregnancy, obstructive infertility. The aim our study was to evaluate whether Mentha suaveolens essential oil (EOMS) can be considered as promising candidate preventing...
Molecular modeling studies and an updated highly predictive 3-D QSAR model led to the discovery of exceptionally potent indolyl aryl sulfones (IASs) characterized by presence either a pyrrolidyn-2-one nucleus at indole-2-carboxamide or some substituents indole-2-carbohydrazide. Compounds 7 9 were found active in sub-nanomolar range concentration both MT-4 C8166 cell-based anti-HIV assays. These compounds, particular compound 9, also showed excellent inhibitory activity against HIV-112...
Candidosis is the most important cause of fungal infections in humans. The yeast Candida albicans can form biofilms, and it known that microbial biofilms play an role human diseases are very difficult to treat. prolonged treatment with drugs has often resulted failure resistance. Due emergence multidrug resistance, alternatives conventional antimicrobial therapy needed. This study aims analyse effects induced by essential oil Mentha suaveolens Ehrh (EOMS) on its potential synergism when used...
Pseudomonas aeruginosa is a ubiquitous organism and opportunistic pathogen that can cause persistent infections due to its peculiar antibiotic resistance mechanisms ability adhere form biofilm. The interest in the development of new approaches for prevention treatment biofilm formation has recently increased. aim this study was seek non-biocidal agents able inhibit formation, order counteract virulence rather than bacterial growth avoid selection escape mutants. Herein, different essential...
In a search for potent inhibitors of class III histone/protein deacetylases (sirtuins), series sirtinol analogues have been synthesized and the degree inhibition was assessed in vitro using recombinant yeast Sir2, human SIRT1, SIRT2 vivo with phenotypic assay. Two analogues, namely, 3- 4-[(2-hydroxy-1-naphthalenylmethylene)amino]-N-(1-phenylethyl)benzamide (i.e., m- p-sirtinol), were 2- to 10-fold more than against SIRT1 enzymes. assay, these two small molecules as sirtinol. Compounds...
The screening of the inhibition capabilities dye-like small molecules from a focused library against both human PRMT1 and Aspergillus nidulans RmtA is reported as well molecular modeling studies (homology modeling, docking, 3-D QSAR) catalytic domain fungal homologue RmtA. good correlation between computational biological results makes reliable tool for arginine methyltransferase inhibitors. In addition, binding mode analyses tested derivatives reveal crucial role two regions, pocket formed...
Herein, an extended investigation of Tea tree oil (TTO) against a number multi-drug resistant (MDR) microorganisms in liquid and vapor phases is reported.The activity TTO was tested methicillin-sensitive Staphylococcus aureus (MSSA), Escherichia coli, clinical strains methicillin-resistant S. (MRSA), extended-spectrum beta lactamases producer carbapenem-sensitive Klebsiella pneumoniae (ESBL-CS-Kp), carbapenem-resistant K. (CR-Kp), Acinetobacter baumannii (CR-Ab), Pseudomonas aeruginosa...
Steam distillation is known to be the most prevalent method of essential oil extraction. Despite many studies on extraction methods, there no report about impact process duration yield and quality. A new 24-h steam for plant oils presented. For improving total yield, prolonged continued isolation was used. selection species from Lamiaceae Apiaceae families subjected direct were collected at different times (1, 2, 3, 6, 12 24 h). The analysis included either annual or perennial monitored in...
Commercially available pesticides were examined as Mus musculus and Homo sapiens acetylcholinesterase (mAChE hAChE) inhibitors by means of ligand-based (LB) structure-based (SB) in silico approaches. Initially, the crystal structures simazine, monocrotophos, dimethoate, acetamiprid reproduced using various force fields. Subsequently, LB alignment rules assessed applied to determine inter synaptic conformations atrazine, propazine, carbofuran, carbaryl, tebufenozide, imidacloprid, diuron,...
Glioblastoma (GBM) is the most lethal and aggressive malignant primary brain tumor in adults. After surgical resection of tumor, patient typically should be subjected to chemotherapy (temozolomide, TMZ) concomitant radiotherapy. Since TMZ treatment does not lead complete remission often develops resistance, identification efficacious therapeutics strongly pursue. Among epigenetic players, H3K27 methyltransferase (MT) EZH2 (enhancer zeste homologue 2) has been found overexpressed or mutated...
In the last decades, interest in biological activity of natural compounds has been growing. plant protection, essential oils have reported to exhibit antiviral, antimycotic, and antiparasitic activities, are regarded as promising for formulation safe antimicrobial agents. Attention also focused on hydrosols, by-products hydro-distillation oils. Their production is easy, fast, cheap, they seem arise less concern human health than Plant viruses represent a major agricultural crops since no...
Recently we reported a novel series of hydroxamates, called 3-(4-aroyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamides (APHAs), acting as HDAC inhibitors (Massa, S.; et al. J. Med. Chem. 2001, 44, 2069-2072). Among them, 3-(4-benzoyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamide 1 was chosen lead compound, and its binding mode into the modeled HDAC1 catalytic core together with histone hyperacetylation, antiproliferative, cytodifferentiating properties in cell-based assays were investigated (Mai,...
Biofilm resistance to antimicrobials is a complex phenomenon, driven not only by genetic mutation induced resistance, but also means of increased microbial cell density that supports horizontal gene transfer across cells. The prevention biofilm formation and the treatment existing biofilms currently difficult challenge; therefore, discovery new multi-targeted or combinatorial therapies growing. development anti-biofilm agents considered major interest represents key strategy as non-biocidal...
Brain infections as meningitis and encephalitis are attracting a great interest. Challenges in the treatment of these diseases mainly represented by blood brain barrier (BBB) that impairs efficient delivery even very potent drugs to reach brain. The nose administration route, is non-invasive alternative for quick onset action, enables transport numerous medicinal agents straight thus workarounding BBB through highly vascularized olfactory region. In this report, Thymus vulgaris Syzygium...
The increasing use of information technology in the discovery new molecular entities encourages modern molecular-modeling tools to help teach important concepts drug design chemistry and pharmacy undergraduate students. In particular, statistical models such as quantitative structure–activity relationships (QSAR)—often its 3D QSAR variant—are commonly used development optimization a leading compound. We describe how these methods can be taught learned by means free open-source web...
Essential oils (EOs) have been recently emerging for their promising biological activities in preventing tumorigenesis or progression of different tumor histotypes, including melanoma. In this study, we investigated the antitumor activity a panel EOs models. The ability Melaleuca alternifolia (tea tree oil) and its main component, terpinen-4-ol, to sensitize target therapy currently used melanoma treatment was also assessed. Our results demonstrated that differently affect viability human...
Bcl-2 family anti-apoptotic proteins are overexpressed in several hematological and solid tumors, contribute to tumor formation, progression, resistance therapy.They represent a promising therapeutic avenue explore for cancer treatment.Venetoclax, inhibitor is currently used malignancies or undergoing clinical trials either tumors.Despite these progresses, ongoing efforts focusing on the identification development of new molecules targeting protein and/or other members.Methods: Machine...