Manuela Sabatino | Ricerc@Sapienza

Pubblicazioni

Titolo	Pubblicato in	Anno
Essential Oils from Mediterranean Plants Inhibit In Vitro Monocyte Adhesion to Endothelial Cells from Umbilical Cords of Females with Gestational Diabetes Mellitus	INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES	2023
Human estrogen receptor α antagonists, part 2: Synthesis driven by rational design, in vitro antiproliferative, and in vivo anticancer evaluation of innovative coumarin-related antiestrogens as breast cancer suppressants	EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY	2022
Targeting the anti-apoptotic Bcl-2 family proteins: Machine learning virtual screening and biological evaluation of new small molecules	THERANOSTICS	2022
Essential Oils Biofilm Modulation Activity and Machine Learning Analysis on Pseudomonas aeruginosa Isolates from Cystic Fibrosis Patients	MICROORGANISMS	2022
In vivo Antiphytoviral Activity of Essential Oils and Hydrosols From Origanum vulgare, Thymus vulgaris, and Rosmarinus officinalis to Control Zucchini Yellow Mosaic Virus and Tomato Leaf Curl New Delhi Virus in Cucurbita pepo L	FRONTIERS IN MICROBIOLOGY	2022
Ligand-based and structure-based studies to develop predictive models for {SARS}-{CoV}-2 main protease inhibitors through the 3d-qsar.com portal	JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN	2022
Human Estrogen Receptor Alpha Antagonists, Part 3: 3-D Pharmacophore and 3-D QSAR Guided Brefeldin A Hit-to-Lead Optimization toward New Breast Cancer Suppressants	MOLECULES	2022
A rapid and consistent method to identify four SARS-CoV-2 variants during the first half of 2021 by RT-PCR	VACCINES	2022
Machine learning data augmentation as a tool to enhance quantitative composition–activity relationships of complex mixtures. A new application to dissect the role of main chemical components in bioactive essential oils	MOLECULES	2021
A comparative analysis of punicalagin interaction with PDIA1 and PDIA3 by biochemical and computational approaches	BIOMEDICINES	2021
Antitumor effect of Melaleuca alternifolia essential oil and its main component terpinen-4-ol in combination with target therapy in melanoma models	CELL DEATH DISCOVERY	2021
Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure-Based and Ligand-Based Studies	JOURNAL OF CHEMICAL INFORMATION AND MODELING	2021
Discovery of the first human arylsulfatase a reversible inhibitor impairing mouse oocyte fertilization	ACS CHEMICAL BIOLOGY	2020
Potent in vitro activity of citrus aurantium essential oil and vitis vinifera hydrolate against gut yeast isolates from irritable bowel syndrome patients—the right mix for potential therapeutic use	NUTRIENTS	2020
Experimental data based machine learning classification models with predictive ability to select in vitro active antiviral and non-toxic essential oils	MOLECULES	2020
Identification of Inhibitors to trypanosoma cruzi sirtuins based on compounds developed to human enzymes	INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES	2020
Antimicrobial essential oil formulation: chitosan coated nanoemulsions for nose to brain delivery	PHARMACEUTICS	2020
Essential oils biofilm modulation activity, chemical and machine learning analysis. Application on staphylococcus aureus isolates from cystic fibrosis patients	INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES	2020
Machine learning analyses on data including essential oil chemical composition and in vitro experimental antibiofilm activities against Staphylococcus species.	MOLECULES	2019
Chemical composition and antimicrobial activity of essential oil of Helichrysum italicum (Roth) G. Don fil. (Asteraceae) from Montenegro	NATURAL PRODUCT RESEARCH	2019

Progetti di Ricerca

Sviluppo di modelli QSAR predittivi mediante tecniche di Machine Learning: applicazione ad inibitori HDAC
Disruptor of Telomeric Silencing 1-Like (DOT1L): identificazione di nuova classe di inibitori non nucleosidici mediante approacci ligand-based e structured-based.