Dottorato in INGEGNERIA INFORMATICA

ciclo: XXXIX
email:

11573/1702755 - 2023 - Application of Machine Learning algorithms to essential oils to develop classification models of quantitative composition-activity relationship (QCAR)

11573/1669898 - 2023 - Pyrimidine thioethers: A novel class of antidepressant agents, endowed with anxiolytic, performance enhancing and nootropic activity

11573/1707629 - 2023 - Sviluppo di nanosistemi sostenibili per l’incapsulamento di oli essenziali e dei loro principi attivi per la conservazione dei beni culturali di origine lignea

11573/1686584 - 2023 - An Undefined Interaction between Polyamines and Heat Shock Proteins Leads to Cellular Protection in Plasmodium falciparum and Proliferating Cells in Various Organisms

11573/1702359 - 2023 - In Vitro Antioxidant and In Vivo Antigenotoxic Features of a Series of 61 Essential Oils and Quantitative Composition–Activity Relationships Modeled through Machine Learning Algorithms

11573/1691190 - 2023 - Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening

11573/1685740 - 2023 - Effect of different soil treatments on production and chemical composition of essential oils extracted from Foeniculum vulgare Mill., Origanum vulgare L. and Thymus vulgaris L

11573/1686583 - 2023 - Essential Oils from Mediterranean Plants Inhibit In Vitro Monocyte Adhesion to Endothelial Cells from Umbilical Cords of Females with Gestational Diabetes Mellitus

11573/1702361 - 2023 - Chemical Composition and Anti-Candida Activity of Mentha suaveolens Ehrh. Essential Oils Obtained by Different Distillation Processes

11573/1702360 - 2023 - In vivo antiphytoviral and aphid repellency activity of essential oils and hydrosols from Mentha suaveolens and Foeniculum vulgare to control zucchini yellow mosaic virus and its vector Aphis gossypii

11573/1686582 - 2023 - Molecular Docking Assessment of Cathinones as 5-HT2AR Ligands: Developing of Predictive Structure-Based Bioactive Conformations and Three-Dimensional Structure-Activity Relationships Models for Future Recognition of Abuse Drugs

11573/1686078 - 2023 - Bcl-2 family inhibitors sensitize human cancer models to therapy

11573/1635652 - 2022 - Essential oils biofilm modulation activity and machine learning analysis on Pseudomonas aeruginosa isolates from cystic fibrosis patients

11573/1652234 - 2022 - Pinus mugo Essential Oil Impairs STAT3 Activation through Oxidative Stress and Induces Apoptosis in Prostate Cancer Cells

11573/1680945 - 2022 - Effetto di metaboliti naturali su crescita e sintesi di aflatossine in Aspergillus flavus

11573/1601394 - 2022 - Foeniculum vulgare miller, a new chemotype from Montenegro

11573/1623438 - 2022 - 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

11573/1661120 - 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

11573/1613297 - 2022 - Transcriptomic and genomic studies classify NKL54 as a histone deacetylase inhibitor with indirect influence on MEF2-dependent transcription

11573/1612791 - 2022 - Inhibition of PKCθ Improves Dystrophic Heart Phenotype and Function in a Novel Model of DMD Cardiomyopathy

11573/1659035 - 2022 - Ligand-based and structure-based studies to develop predictive models for {SARS}-{CoV}-2 main protease inhibitors through the 3d-qsar.com portal

11573/1681948 - 2022 - Py-Graph: An Easy-To-Use Interface for Building Graph-Based QSAR Models

11573/1652233 - 2022 - Bovine serum amine oxidase and polyamine analogues: chemical synthesis and biological evaluation integrated with molecular docking and 3-D QSAR studies

11573/1635533 - 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

11573/1623442 - 2022 - Targeting the anti-apoptotic Bcl-2 family proteins: Machine learning virtual screening and biological evaluation of new small molecules

11573/1652230 - 2022 - Chemical Composition of Various Nepeta cataria Plant Organs’ Methanol Extracts Associated with In Vivo Hepatoprotective and Antigenotoxic Features as well as Molecular Modeling Investigations

11573/1554122 - 2021 - Antitumor effect of Melaleuca alternifolia essential oil and its main component terpinen-4-ol in combination with target therapy in melanoma models

11573/1661121 - 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

11573/1601697 - 2021 - First-in-Class Inhibitors of the Ribosomal Oxygenase MINA53

11573/1618652 - 2021 - A comparative analysis of punicalagin interaction with PDIA1 and PDIA3 by biochemical and computational approaches

11573/1617919 - 2021 - Anti-virulence properties of Coridothymus capitatus essential oil against Pseudomonas aeruginosa clinical isolates from cystic fibrosis patients

11573/1511704 - 2020 - The anti-STAT1 polyphenol myricetin inhibits M1 microglia activation and counteracts neuronal death

11573/1414757 - 2020 - Discovery of the first human arylsulfatase a reversible inhibitor impairing mouse oocyte fertilization

11573/1439469 - 2020 - Essential oils and their main chemical components: the past 20 years of preclinical studies in melanoma

11573/1400981 - 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

11573/1351726 - 2020 - Gas-phase structures and thermochemical properties of protonated 5-hmf isomers

11573/1511684 - 2020 - Breakthroughs in medicinal chemistry: new targets and mechanisms, new drugs, new hopes-7

11573/1401342 - 2020 - Identification of Inhibitors to trypanosoma cruzi sirtuins based on compounds developed to human enzymes

11573/1390392 - 2020 - Altered mitochondrial function in cells carrying a premutation or unmethylated full mutation of the FMR1 gene

11573/1464626 - 2020 - Essential oils biofilm modulation activity, chemical and machine learning analysis. Application on staphylococcus aureus isolates from cystic fibrosis patients

11573/1414250 - 2020 - Teaching and learning computational drug design: student investigations of 3D quantitative structure–activity relationships through web applications

11573/1392980 - 2020 - Essential oils against bacterial isolates from cystic fibrosis patients by means of antimicrobial and unsupervised machine learning approaches

11573/1453073 - 2020 - Antimicrobial essential oil formulation: chitosan coated nanoemulsions for nose to brain delivery

11573/1401326 - 2020 - Experimental data based machine learning classification models with predictive ability to select in vitro active antiviral and non-toxic essential oils

11573/1511694 - 2020 - Breakthroughs in medicinal chemistry: new targets and mechanisms, new drugs, new hopes-6

11573/1287228 - 2019 - Variation in essential oil content and composition of Ridolfia segetum Moris based on 30-hour prolonged fractionated extraction procedure

11573/1450958 - 2019 - The effects of phenophase on essential oil quality and quantity

11573/1450960 - 2019 - Idrolati ottenuti dalla distillazione di grappoli di Vitis vinifera: prime sperimentazioni

11573/1450956 - 2019 - Garze pre-medicate con idrogel e idrolato di Citrus aurantium var amara (fiori) per la prevenzione delle infezioni microbiche della cute lesa

11573/1450962 - 2019 - Pre-medicated gauze with hydrogel and hydrolat of Citrus aurantium var amara (flowers) for the prevention of microbial infections of the damaged skin

11573/1451540 - 2019 - Caratterizzazione chimica quali-quantitativa della fase vapore degli oli essenziali

11573/1316299 - 2019 - Breakthroughs in medicinal chemistry: new targets and mechanisms, New Drugs, New Hopes-5

11573/1287226 - 2019 - Breakthroughs in medicinal chemistry: new targets and mechanisms, new drugs, new hopes-4

11573/1312818 - 2019 - Shmt2: a stat3 signaling new player in prostate cancer energy metabolism

11573/1221842 - 2019 - Effect of α-methoxy substitution on the anti-HIV activity of dihydropyrimidin-4(3 H)-ones

11573/1310971 - 2019 - Chemical composition and antimicrobial activity of essential oil of Helichrysum italicum (Roth) G. Don fil. (Asteraceae) from Montenegro

11573/1254411 - 2019 - In-vitro evaluation of different antimicrobial combinations with and without colistin against carbapenem-resistant acinetobacter baumannii

11573/1278180 - 2019 - Machine learning analyses on data including essential oil chemical composition and in vitro experimental antibiofilm activities against Staphylococcus species.

11573/1414261 - 2019 - www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices—the Py-CoMFA web application as tool to build models from pre-aligned datasets

11573/1339079 - 2019 - Dissecting the role of novel EZH2 inhibitors in primary glioblastoma cell cultures: effects on proliferation, epithelial-mesenchymal transition, migration, and on the pro-inflammatory phenotype

11573/1208206 - 2019 - Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells

11573/1065956 - 2018 - Ab-initio and experimental study of pentose sugar dehydration mechanism in the gas phase

11573/1072677 - 2018 - Antimicrobial and antibiofilm activity and machine learning classification analysis of essential oils from different mediterranean plants against pseudomonas aeruginosa

11573/1091555 - 2018 - Melissa officinalis L. subsp. altissima (Sibth. & Sm.) Arcang. essential oil: Chemical composition and preliminary antimicrobial investigation of samples obtained at different harvesting periods and by fractionated extractions

11573/1116555 - 2018 - RIP1-HAT1-SirT complex identification and targeting in treatment and prevention of cancer

11573/978523 - 2018 - Essential oil extraction, chemical analysis and anti-candida activity of foeniculum vulgare Miller - new approaches

11573/1072676 - 2018 - Lycium barbarum polysaccharides: extraction, purification, structural characterisation and evidence about hypoglycaemic and hypolipidaemic effects. A review

11573/1191416 - 2018 - The targeted pesticides as acetylcholinesterase inhibitors: comprehensive cross-organism molecular modelling studies performed to anticipate the pharmacology of harmfulness to humans in vitro

11573/1065714 - 2018 - Breakthroughs in medicinal chemistry: new targets and mechanisms, new drugs, new hopes-2

11573/1191414 - 2018 - High potency of melaleuca alternifolia essential oil against multi-drug resistant gram-negative bacteria and methicillin-resistant staphylococcus aureus

11573/1116557 - 2018 - Carotenoid content of Goji berries: CIELAB, HPLC-DAD analyses and quantitative correlation

11573/1197760 - 2018 - Gas phase structures and thermochemical parameters of protonated 5-hmf isomers

11573/1065694 - 2018 - Disruptor of telomeric silencing 1-like (DOT1L): disclosing a new class of non-nucleoside inhibitors by means of ligand-based and structure-based approaches

11573/955900 - 2017 - Essential oil extraction, chemical analysis and anti-candida activity of calamintha nepeta (L.) Savi subsp. glandulosa (Req.) ball-new approaches

11573/955907 - 2017 - Esential oils extraction: a 24-hour steam distillation systematic methodology

11573/955894 - 2017 - Calamintha nepeta (L.) Savi and its main essential oil constituent pulegone: biological activities and chemistry

11573/1007387 - 2017 - Synthesis, biological evaluation and quantitative structure-active relationships of 1,3-thiazolidin-4-one derivatives. A promising chemical scaffold endowed with high antifungal potency and low cytotoxicity

11573/978522 - 2017 - Genotoxicity assessment of piperitenone oxide: an in vitro and in silico evaluation

11573/982322 - 2017 - Composition of the essential oil of Coristospermum cuneifolium (Guss.) Bertol. and evaluation of its anti-bacterial activity

11573/1065914 - 2017 - Sideritis romana L. subsp. purpurea (Tal. ex Benth.) Heywood, a new chemotype from Montenegro

11573/978519 - 2017 - Understanding the molecular determinant of reversible human monoamine oxidase B inhibitors containing 2H-chromen-2-one core: structure-based and ligand-based derived three-dimensional quantitative structure-activity relationships predictive models

11573/955362 - 2017 - Exploring the first Rimonabant analog-​opioid peptide hybrid compound, as bivalent ligand for CB1 and opioid receptors

11573/978520 - 2017 - Breakthroughs in medicinal chemistry: new targets and mechanisms, new drugs, new hopes

11573/955891 - 2017 - Enhancing activity and selectivity in a series of pyrrol-1-yl-1-hydroxypyrazole-based aldose reductase inhibitors: the case of trifluoroacetylation

11573/1065934 - 2017 - Chemical and antimicrobial analyses of Sideritis romana L. subsp. purpurea (Tal. ex Benth.) Heywood, an endemic of the Western Balkan

11573/1001934 - 2017 - Composition of the essentialoOil of coristospermum cuneifolium and antimicrobial activity evaluation

11573/955887 - 2017 - Novel coumarin- and quinolinone-based polycycles as cell division cycle 25-A and -C phosphatases inhibitors induce proliferation arrest and apoptosis in cancer cells

11573/897502 - 2016 - New inhibitors of indoleamine 2,3-dioxygenase 1: molecular modeling studies, synthesis, and biological evaluation

11573/891076 - 2016 - A series of COX-2 inhibitors endowed with NO-releasing properties: synthesis, biological evaluation, and docking analysis

11573/955909 - 2016 - Structure-based modeling of histone deacetylases inhibitors

11573/775380 - 2016 - Antibacterial activity of essential oils mixture against PSA

11573/788335 - 2015 - Mentha suaveolens Ehrh. (lamiaceae) essential oil and Its main constituent piperitenone oxide: biological activities and chemistry

11573/1668504 - 2015 - Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors

11573/835960 - 2015 - Binding of azole drugs to heme: a combined MS/MS and computational approach

11573/785937 - 2015 - Multidisciplinary approach to determine the optimal time and period for extracting the essential oil from Mentha suaveolens Ehrh

11573/788336 - 2015 - Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches

11573/630061 - 2015 - Effects of Mentha suaveolens essential oil on C. trachomatis

11573/538218 - 2014 - Effects of Mentha suaveolens Essential Oil Alone or in Combination with Other Drugs in Candida albicans

11573/542449 - 2014 - Hsp90 Inhibitors (I). Definition of 3-D QSAutogrid/R Models as a Tool for Virtual Screening

11573/547328 - 2014 - A combined structure and ligand-based application on BSAO as an encouraging approach in anti-cancer therapy.

11573/542473 - 2014 - Hsp90 Inhibitors (II). Combining ligand-based and structure-based approaches for Virtual Screening application

11573/725271 - 2014 - Decreasing acidity in a series of aldose reductase inhibitors: 2-Fluoro-4-(1H-pyrrol-1-yl)phenol as a scaffold for improved membrane permeation

11573/538217 - 2014 - In vitro inhibition of herpes simplex virus type 1 replication by Mentha suaveolens essential oil and its main component piperitenone oxide

11573/681252 - 2014 - Exploring the role of 2-chloro-6-fluoro substitution in 2-alkylthio-6-benzyl-5-alkylpyrimidin-4(3H)-ones: effects in HIV-1-infected cells and in HIV-1 reverse transcriptase enzymes

11573/516789 - 2013 - VEGFR-2 Inhibitors. New perspectives from molecular modeling

11573/516648 - 2013 - Computational strategies to design new highly potential BSAO polyamine substrates

11573/517732 - 2013 - Design And Synthesis Of 2-Indolyl-Thieno[2,3-D]Pyrimidinones As Potential Inhibitors Of VEGFR-2.

11573/513960 - 2013 - Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2)

11573/515673 - 2013 - Pharmacophore assessment through 3-D QSAR: evaluation of the predictive ability on new derivatives by the application on a series of antitubercular agents

11573/509826 - 2013 - Design and synthesis of new inhibitors of VEGFR-2.

11573/516493 - 2013 - Biaryl tetrazolyl ureas inhibitors of endocannabinoid metabolism: modulation at the N-portion and distal phenyl ring

11573/517731 - 2013 - Molecular Docking Of Biaryl Tetrazolyl Ureas As Inhibitors Of Endocannabinoid Metabolism

11573/496121 - 2012 - Gas-phase basicity of 2-furaldehyde

11573/481760 - 2012 - Comprehensive model of wild-type and mutant HIV-1 reverse transciptases

11573/448931 - 2012 - 3-D QSAutogrid/R: An alternative procedure to build 3-D QSAR models. methodologies and applications

11573/477303 - 2012 - Inhibition of hepatitis C virus NS5B polymerase by S-trityl-L-cysteine derivatives

11573/516135 - 2012 - The gas phase mechanism of 2-furaldehyde formation from pentose sugars: A mass spectrometric and theoretical study

11573/516140 - 2012 - Gas-phase basicity of 2-furaldehyde

11573/455654 - 2012 - 2-(Alkyl/aryl)amino-6-benzylpyrimidin-4(3H)-ones as inhibitors of wild-type and mutant HIV-1: enantioselectivity studies.

11573/477299 - 2012 - Histone Deacetylase Inhibitors: Structure-Based Modeling and Isoform-Selectivity Prediction

11573/488893 - 2012 - Interactions between new polyamine analogs and bovine serum amine oxidase.

11573/505827 - 2012 - Meccanismo d’azione degli oli essenziali sia da soli che in combinazione su Candida albicans.

11573/443881 - 2011 - Attività antimicotica dell’olio essenziale di Mentha suaveolens

11573/512488 - 2011 - Histone deacetylase inhibitors: Comparative Binding Energy and QSAR studies for target selectivity prediction

11573/512500 - 2011 - Beta-secretase: quantitative structure-activity relationships (3-D QSARs) and evaluation of predictive ability

11573/124836 - 2011 - Beneficial effect of Mentha suaveolens essential oil in the treatment of vaginal candidiasis assessed by real-time monitoring of infection

11573/379283 - 2011 - Identification of glutathione-methacrylates adducts in gingival fibroblasts and erythrocytes by HPLC-MS and capillary electrophoresis

11573/549761 - 2011 - Histone Deacetylase Inhibitors. The Development of a Model for Target Prediction

11573/120735 - 2011 - Chemically Modified Multiwalled Carbon Nanotubes Electrodes with Ferrocene Derivatives through Reactive Landing

11573/424551 - 2011 - Tecniche di screening per i nuovi farmaci

11573/418879 - 2011 - Identification of Small-Molecule Inhibitors of the XendoU Endoribonucleases Family

11573/512511 - 2011 - Histone Deacetylase inhibitors. The development of a model for target-selectivity prediction

11573/356064 - 2011 - Novel Cinnamyl Hydroxyamides and 2-Aminoanilides as Histone Deacetylase Inhibitors: Apoptotic Induction and Cytodifferentiation Activity

11573/393565 - 2011 - Essential oil from Mentha suaveolens (EOMS) induces morphological alteration in C.albicans

11573/391170 - 2010 - PIPERITENONE OSSIDO E FARMACI ANTIMICOTICI: INTERAZIONI E LORO IMPIEGO NELLA FARMACO RESISTENZA

11573/379103 - 2010 - In vitro activity of essential oil of Mentha suaveolens. against Cryptococcus neoformans , and dermatophytes

11573/512507 - 2010 - An alternative method for generating 3-D QSAR models using free software

11573/121815 - 2010 - Combining 3-D QSAR with Ligand Based and Structure Based Alignment Procedures for in Silico Screening of New Hepatitis C Virus NS5B Polymerase Inhibitors

11573/429753 - 2010 - Analysis of the sirtuin genes in Arabidopsis thaliana

11573/512506 - 2010 - R/AUTOGRID/ADT Combination As An Alternative To Build 3-D QSAR Models. Methodologies And Applications

11573/512510 - 2010 - 3-D QSAR SERVER – A 3-D QSAR models database for virtual screening

11573/512509 - 2010 - RCMD 3-D QSAR SERVER an online 3-D QSAR models database

11573/230646 - 2010 - Design, Synthesis and Biological Evaluation of Carboxy Analogues of Arginine Methyltransferase Inhibitor 1 (AMI-1)

11573/390805 - 2009 - ATTIVITÀ ANTIMICOTICA DELL'OLIO ESSENZIALE DI MENTHA SUAVEOLENS

11573/120904 - 2009 - Small-Molecule Interferon Inducers. Toward the Comprehension of the Molecular Determinants through Ligand-Based Approaches

11573/229211 - 2009 - New pyrrole-based histone deacetylase inhibitors: Binding mode, enzyme- and cell-based investigations

11573/53431 - 2009 - VEGFR-2 Inhibitors. Ligand-Based, Structure-Based and 3-D QSAR Studies as Tools to Design New Small Molecules

11573/53433 - 2009 - Homology modeling, Receptor binding and 3-D QSAR studies on Protein Arginine Methyltransferases 1 inhibitors.

11573/396116 - 2009 - STUDI DELL’ATTIVITÀ ANTIFUNGINA DELL’OLIO ESSENZIALE DI ACHILLEA AGERATUM IN CANDIDA ALBICANS

11573/364108 - 2009 - Antimycotic activity of Achillea ageratum L essential oil.

11573/399503 - 2008 - Attività antifungina dell'olio essenziale di Mentha suaveolens in Candida albicans.

11573/363647 - 2008 - 5-Alkyl-6-benzyl-2-(2-oxo-2-phenylethylsulfanyl)pyrimidin-4(3H)-ones, a series of anti-HIV-1 agents of the dihydro-alkoxy-benzyl-oxopyrimidine family with peculiar structure-activity relationship profile.

11573/228400 - 2008 - The Tumor Marker Human Placental Protein 11 Is an Endoribonuclease

11573/359850 - 2008 - In vitro activity of essential oil of Myrtus communis L. against Candida albicans. Comments

11573/365241 - 2008 - Class II-selective histone deacetylase inhibitors. Part 2: Alignment-independent GRIND 3-D QSAR, homology and docking studies

11573/120901 - 2008 - CYP19 (aromatase): Exploring the scaffold flexibility for novel selective inhibitors

11573/363321 - 2007 - Synthesis and biological properties of novel 2-aminopyrimidin-4(3H)-ones highly potent against HIV-1 mutant strains

11573/240206 - 2007 - Synthesis and biological validation of novel synthetic histone/protein methyltransferase inhibitors

11573/53480 - 2007 - COMBINE, VALIDATE and GRID/GOLPE Application on HIV-RT Inhibitors: Developing of Models from Experimental Available Ligand-Enzyme Complexes and Predictive Ability

11573/363492 - 2007 - Indolyl aryl sulphones as HIV-1 reverse transcriptase inhibitors: docking and 3-D QSAR studies.

11573/51617 - 2007 - Docking and 3-D QSAR Studies on SIRT2 Inhibitors: A GRID/GOLPE Approach on Different Series of Compounds.

11573/51660 - 2007 - New Aroyl-Pyrrolyl-Hydroxy-Amides APHAs: Class I and II Histone Deacetylase Inhibiting Activity and Binding Mode Analysis through Molecular Docking Experiments

11573/239247 - 2007 - Small Molecole Inhibitors of Histone Arginine Methyltransferases: Homology Modeling, Molecular Docking, Binding Mode Analysis, and Biological Evaluation.

11573/396668 - 2006 - Structure-Based and 3-D QSAR Drug Design of New Indolyl Aryl Sulfones.

11573/53434 - 2006 - Improved 3-D QSAR Model on Indolyl Aryl Sulfones: Design of potent anti-HIV-1 active against both wild type and mutant form of RT.

11573/144591 - 2006 - Indolyl aryl sulphones as HIV-1 non-nucleoside reverse transcriptase inhibitors: synthesis, biological evaluation and binding mode studies of new derivatives at indole-2-carbxamide.

11573/237779 - 2006 - Design, Synthesis, Biological Evaluation, and Molecular Modeling Studies on TIBO-Like Cyclic Sulfones as Novel Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors

11573/121805 - 2006 - A Combination of Molecular Dynamics and Docking Calculations to Explore the Binding Mode of ADS-J1, a Polyanionic Compound Endowed with Anti-HIV-1 Activity

11573/363353 - 2006 - Synthesis and biological properties of novel, uracil-containing histone deacetylase inhibitors

11573/234238 - 2006 - Aroyl-pyrrolyl hydroxyamides: Influence of pyrrole C4-phenylacetyl substitution on histone deacetylase inhibition

11573/51618 - 2006 - COMBINE, VALIDATE and GRID/GOLPE Application on HIV-RT Inhibitors: Developing of Models from Experimental Available Ligand-Enzyme Complexes and Predictive Ability

11573/359248 - 2006 - Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide

11573/234818 - 2006 - 3-D QSAR Studies on Histone Deacetylase Inhibitors. A GOLPE/GRID Approach on Different Series of Compounds.

11573/57584 - 2006 - Indole nucleus as a selected pharmacophore for the design of novel highly anti-HIV RT inhibitors and also capable to inhibit tumor cell replication.

11573/235905 - 2005 - Dihalo Indolyl Aryl Sulfones (IASs) Highly Active In Vitro Against HIV-1 WT and Variants Carrying NNRTI Resistance Mutations.

11573/138979 - 2005 - Novel 1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. A Structure-Activity Relationship Investigation.

11573/239790 - 2005 - Design, synthesis and biological evaluation of heteroaryl diketohexenoic and diketobutanoic acids as HIV-1 integrase inhibitors endowed with antiretroviral activity

11573/232365 - 2005 - Design, Synthesis and Biological Evaluation of New Pyrrole MAO-B Inhibitors.

11573/236120 - 2005 - 5-Alkyl-2-alkylamino-6-(2,6-difluorophenylalkyl)-3,4-dihydropyrimidin-4(3H)-ones, a new series of potent, broad-spectrum non-nucleoside reverse transcriptase inhibitors belonging to the DABO family

11573/526020 - 2005 - Histone Deacetylation in Epigenetics: An Attractive Target for Anticancer Therapy

11573/364994 - 2005 - Design, synthesis, and biological evaluation of sirtinol analogues as class III histone/protein deacetylase (sirtuin) inhibitors

11573/239389 - 2005 - Synthesis and evaluation of new tripeptide phosphonate inhibitors of MMP-8 and MMP-2

11573/232310 - 2005 - High potency of indolyl aryl sulfone nonnucleoside inhibitors towards drug-resistant human immunodeficiency virus type 1 reverse transcriptase mutants is due to selective targeting of different mechanistic forms of the enzyme

11573/359603 - 2005 - Docking and 3-D QSAR Studies on Indolyl Aryl Sulfones. Binding Mode Exploration at the HIV-1 Reverse Transcriptase Non-Nucleoside Binding Site and Design of Highly Active N-(2-Hydroxyethyl)carboxamide and N-(2-Hydroxyethyl)carbohydrazide Derivatives.

11573/122614 - 2005 - HIV-Reverse Transcriptase Inhibition: Inclusion of Ligand-Induced Fit by Cross-Docking Studies

11573/53420 - 2005 - Binding mode of small molecule inhibitors of histone arginine methyltransferases.

11573/231135 - 2004 - 6-Aryl-2,4-dioxo-5-hexenoic Acids, Novel Integrase Inhibitors Active Against HIV-1 Multiplication in Cell-Based Assays.

11573/365225 - 2004 - 2,6-Bis(3,4,5-trihydroxybenzylydene) derivatives of cyclohexanone: novel potent HIV-1 integrase inhibitors that prevent HIV-1 multiplication in cell-based assays

11573/210944 - 2004 - Acidi chinolinil-2,4-dioxobutanoici come analoghi conformazionalmente ristretti dei derivati arildichetoesenoici, dotati di potente attività anti-integrasi del virus HIV-1.

11573/210946 - 2004 - Quinolinyl 2,4-dioxobutanoic Acids, Conformationally Restrained Analogues of Aryldioxohexenoic Acids as HIV-1 Integrase Inhibitors.

11573/396687 - 2004 - Studies on Novel Agents for Depression and Parkinson’s Disease. Potent Pyrrole and Indole Monoamine Oxidase Inhibitors.

11573/396732 - 2004 - Potenti Inibitori delle Monoamino Ossidasi a Struttura Pirrolica ed Indolica.

11573/234811 - 2004 - 3-(4-Aroyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamides as a New Class of Synthetic Histone Deacetylase Inhibitors. 2. Effect of Pyrrole-C2 and/or -C4 Substitutions on Biological Activity

11573/189567 - 2004 - Synthesis and evaluation of sirtinol analogues as yeast Sir2 and human SIRT inhibitors

11573/237666 - 2004 - Computer-Aided Design, Synthesis, and Anti-HIV-1 Activity in Vitro of 2-Alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as Novel Potent Non-Nucleoside Reverse Transcriptase Inhibitors, Also Active Against the Y181C Variant

11573/434777 - 2004 - 3-(4-Aroyl-1-methyl-1H-pyrrol-2-yl)-N-hydroxy-2-propenamides as a new class of synthetic histone deacetylase inhibitors. 3. Discovery of novel lead compounds through structure-based drug design and docking studies.

11573/210707 - 2003 - Acidi 6-Aril-2,4-dioxo-5-esenoici, Nuovi Inibitori dell’Integrasi. Blocco la Replicazione dell’HIV-1 in Cellule Infettate.

11573/120507 - 2003 - Synthesis and biological evaluation of enantiomerically pure pyrrolyl- oxazolidinones as a new class of potent and selective monoamine oxidase type A inhibitors.

11573/254722 - 2003 - 3-(4-Aroyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-alkylamides as a New Class of Synthetic Histone Deacetylase Inhibitors. 1. Design, Synthesis, Biological Evaluation, and Binding Mode Studies Performed through Three Different Docking Procedures

11573/53426 - 2003 - Chemical Manipulations on 3-(4-Aroyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-alkylamides, a New Class of Synthetic Histone Deacetylase Inhibitors: Towards an Histone Class Selectivity?

11573/396740 - 2003 - Docking and 3-D QSAR Studies on Indolyl Aryl Solfones (IASs). Binding Mode Exploration at the HIV-1 RT NNBS and Structure Based Drug Design.

11573/46051 - 2002 - Design, synthesis and QSAR studies on N-aryl heteroarylisopropanolamines, a new class of non-peptidic HIV-1 protease inhibitors

11573/252637 - 2002 - ARYLTHIOPYRIDYLMETHYLISOPROPYLPYRROLE CARBINOLS, NOVEL NNRTIs ENDOWED WITH POTENT ANTI-HIV-1 ACTIVITY

11573/53414 - 2002 - Synthesis and Biological Evaluation of Enantiomerically Pure 3-(1H-Pyrrol-1-yl)-2-oxazolidinones as a New Class of Potent and Selective Monoamine Oxidase Type A Inhibitors

11573/53416 - 2002 - Computer-Aided Design of Novel Aroyl-pyrrolyl-hydroxy-alkylamide (APHA) Derivatives as New Synthetic Histone Deacetylase Inhibitors

11573/254380 - 2002 - Binding Mode Analysis of 3-(4-Benzoyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamide: a New Synthetic Histone Deacetylase Inhibitor Inducing Histone Hyperacetylation, Growth Inhibition, and Terminal Cell Differentiation

11573/252766 - 2002 - Synthesis, biological evaluation, and binding mode of novel 1-[2-(diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles targeted at the HIV-1 reverse transcriptase

11573/253535 - 2002 - Anti-HIV-1 NNRT Agents: Acylamino Pyrryl Aryl Sulfones (APASs) as Truncated Analogues of Tricyclic PBTDs.

11573/396783 - 2002 - Agenti anti-HIV-1: Acilamino Pirril Aril Solfoni (APAS), Analoghi Troncati delle PBTD Tricicliche.

11573/396801 - 2002 - Anti-HIV-1 NNRT Agents: Acylamino Pyrryl Aryl Sulfones (APASs) as Truncated Analogues of Tricyclic PBTDs.

11573/53418 - 2002 - Attività anti-HIV-1 di Ariltiazolilcarbossiamidi, Nuova Classe di NNRTI ibridi tra PETT, UC781 e TDA

11573/248287 - 2001 - Structure-Based Design, Synthesis and Biological Evaluation of Conformationally Restricted Novel 2-Alkylthio-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as Non-nucleoside Inhibitors of HIV-1 Reverse Transcriptase

11573/12978 - 2001 - 3-(4-aroyl-1h-pyrrol-2-yl)-N-hydroxy-2-propenamides, a new class of synthetic histone deacetylase inhibitors

11573/253561 - 2001 - Chiral resolution and molecular modeling investigation of rac-2-cyclopentylthio-6-[1-(2,6-difluorophenyl)ethyl]-3,4-dihydro-5- methylpyrimidin-4(3H)-one (MC-1047), a potent anti-HIV-1 reverse transcriptase agent of the DABO class.

11573/149053 - 2000 - Affinity Prediction: The Sine Qua Non

11573/147324 - 2000 - Bound Conformations for Ligands for G-Protein Coupled Receptors.

11573/249530 - 2000 - Antimycobacterial Pyrroles: Synthesis, Anti-Mycobacterium tuberculosis Activity and QSAR Studies.

11573/244226 - 1999 - Structure Based Design of N-aryl-heteroarylpropanolamines, a new class of simple HIV-1 Protease Inhibitors

11573/122336 - 1999 - Bound conformations for ligands for G-protein coupled receptors

11573/242616 - 1998 - CRYSTAL STRUCTURE OF 2-[5-(4-CARBETOXYPHENOXY)PENTANOYL]-5-CHLOROTHIOPHENE, C18H19O4ClS

11573/194601 - 1998 - 3D QSAR and Molecular Modeling on a Set of New Anti Mycobacterial Compounds.

11573/122334 - 1996 - Molecular Modeling of Azole Antifungal Agents Active.Againts Candida Albicans.I: a CoMFA Study.

11573/244117 - 1996 - Investigation on QSAR and Binding Mode of a New Class of Human Rhinovirus-14 Inhibitors by CoMFA and Docking Experiments.

11573/245437 - 1996 - Iso-miconazole and related derivatives: synthesis and antifungal activities.

11573/247246 - 1996 - Methyl-2-thienylketopolymethyleneoxyphenyl derivatives of alkyl-substituted 4,5-dihydro-oxazoles with anti-human picornavirus activity.

11573/12749 - 1995 - (((thienylcarbonyl)alkyl)oxy)phenyl)- and (((pyrrylcarbonyl)alkyl)oxy)phenyl)oxazoline derivatives with potent and selective antihuman rhinovirus activity

11573/246474 - 1995 - Comparative Molecular Field Analysis of New Human Rhinovirus-14 Inhibitors

11573/247326 - 1994 - ANTIFUNGAL AGENTS .7. DICHLOROPHENYLPYRRYLIMIDAZOLYLMETHANE DERIVATIVES - SYNTHESIS AND ANTIFUNGAL ACTIVITIES

11573/14961 - 1993 - Synthesis and antifungal activities of aryl-1H-pyrrol-2-yl-1H-imidazol-1-yl-methane derivatives with unsaturated chains

11573/245036 - 1991 - Synthesis of New Disoxaril Analogues with Potent and Selective Anti-Human Rhinovirus 14 Activity