Publication List from SCOPUS.com

Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening, , Machine Learning, 2024 ...

(Heteroarylmethyl)benzoic Acids as a New Class of Bacterial Cystathionine γ-Lyase Inhibitors: Synthesis, Biological Evaluation, and Molecular Modeling, , ACS Infectious Diseases, 2024 ...

Screening of the activity of sixty essential oils against plasmodium early mosquito stages in vitro and machine learning analysis reveals new putative inhibitors of malaria parasites, , International Journal for Parasitology: Drugs and Drug Resistance, 2023 ...

Retraction Note: Dissecting the role of novel EZH2 inhibitors in primary glioblastoma cell cultures: effects on proliferation, epithelialmesenchymal transition, migration, and on the pro-inflammatory phenotype (Clinical Epigenetics, (2019), 11, 1, (173), 10.1186/s13148-019-0763-5), , Clinical Epigenetics, 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, , Antioxidants, 2023 ...

Chemical Composition and Anti-Candida Activity of Mentha suaveolens Ehrh. Essential Oils Obtained by Different Distillation Processes, , Molecules, 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, , Molecules, 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., , Plants, 2023 ...

Bcl-2 family inhibitors sensitize human cancer models to therapy, , Cell Death and Disease, 2023 ...

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 ...

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, , Plants, 2023 ...

An Undefined Interaction between Polyamines and Heat Shock Proteins Leads to Cellular Protection in Plasmodium falciparum and Proliferating Cells in Various Organisms, , Molecules, 2023 ...

Editorial: Chemical composition and antimicrobial activity of essential oils, , Frontiers in Pharmacology, 2023 ...

Pyrimidine thioethers: A novel class of antidepressant agents, endowed with anxiolytic, performance enhancing and nootropic activity, , European Journal of Medicinal Chemistry, 2023 ...

Bovine Serum Amine Oxidase and Polyamine Analogues: Chemical Synthesis and Biological Evaluation Integrated with Molecular Docking and 3-D QSAR Studies, , Journal of Chemical Information and Modeling, 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, , Plants, 2022 ...

Pinus mugo Essential Oil Impairs STAT3 Activation through Oxidative Stress and Induces Apoptosis in Prostate Cancer Cells, , Molecules, 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 ...

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 ...

Transcriptomic and genomic studies classify NKL54 as a histone deacetylase inhibitor with indirect influence on MEF2-dependent transcription, , Nucleic Acids Research, 2022 ...

Inhibition of PKCθ Improves Dystrophic Heart Phenotype and Function in a Novel Model of DMD Cardiomyopathy, , International Journal of Molecular Sciences, 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, , 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 ...

Foeniculum vulgare miller, a new chemotype from Montenegro, , Plants, 2022 ...

First-in-Class Inhibitors of the Ribosomal Oxygenase MINA53, , Journal of Medicinal Chemistry, 2021 ...

A comparative analysis of punicalagin interaction with PDIA1 and PDIA3 by biochemical and computational approaches, , Biomedicines, 2021 ...

Anti-virulence properties of coridothymus capitatus essential oil against pseudomonas aeruginosa clinical isolates from cystic fibrosis patients, , Microorganisms, 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 ...

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 ...

The anti-STAT1 polyphenol myricetin inhibits M1 microglia activation and counteracts neuronal death, , FEBS Journal, 2021 ...

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 ...

Essential oils against bacterial isolates from cystic fibrosis patients by means of antimicrobial and unsupervised machine learning approaches, , Scientific Reports, 2020 ...

Essential oils and their main chemical components: The past 20 years of preclinical studies in Melanoma, , Cancers, 2020 ...

Teaching and Learning Computational Drug Design: Student Investigations of 3D Quantitative Structure-Activity Relationships through Web Applications, , Journal of Chemical Education, 2020 ...

Variation in essential oil content and composition of Ridolfia segetum Moris based on 30-hour prolonged fractionated extraction procedure, , Natural Product Research, 2020 ...

Antimicrobial essential oil formulation: Chitosan coated nanoemulsions for nose to brain delivery, , Pharmaceutics, 2020 ...

Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, new hopes-7, , Molecules, 2020 ...

Discovery of the First Human Arylsulfatase A Reversible Inhibitor Impairing Mouse Oocyte Fertilization, , ACS Chemical Biology, 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 ...

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 ...

Altered mitochondrial function in cells carrying a premutation or unmethylated full mutation of the FMR1 gene, , Human Genetics, 2020 ...

Chemical composition and antimicrobial activity of essential oil of Helichrysum italicum (Roth) G. Don fil. (Asteraceae) from Montenegro, , Natural Product Research, 2020 ...

Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, new hopes-6, , Molecules, 2020 ...

Gas-phase structures and thermochemical properties of protonated 5-HMF isomers, , International Journal of Mass Spectrometry, 2020 ...

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, , Clinical Epigenetics, 2019 ...

Shmt2: A Stat3 signaling new player in prostate cancer energy metabolism, , Cells, 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, , Journal of Computer-Aided Molecular Design, 2019 ...

Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells, , European Journal of Medicinal Chemistry, 2019 ...

Effect of α-Methoxy Substitution on the Anti-HIV Activity of Dihydropyrimidin-4(3 H)-ones, , Journal of Medicinal Chemistry, 2019 ...

Breakthroughs in medicinal chemistry: New targets and mechanisms, New Drugs, New Hopes-5, , Molecules, 2019 ...

Machine Learning Analyses on Data including Essential Oil Chemical Composition and In Vitro Experimental Antibiofilm Activities against Staphylococcus Species, , Molecules, 2019 ...

In-vitro evaluation of different antimicrobial combinations with and without colistin against carbapenem-resistant Acinetobacter baumannii, , Molecules, 2019 ...

Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, new hopes-4, , Molecules, 2019 ...

Carotenoid content of Goji berries: CIELAB, HPLC-DAD analyses and quantitative correlation, , Food Chemistry, 2018 ...

High potency of Melaleuca alternifolia essential oil against multi-drug resistant gram-negative bacteria and methicillin-resistant Staphylococcus aureus, , Molecules, 2018 ...

The targeted pesticides as acetylcholinesterase inhibitors: Comprehensive cross-organism molecular modelling studies performed to anticipate the pharmacology of harmfulness to humans in vitro, , Molecules, 2018 ...

Lycium barbarum polysaccharides: Extraction, purification, structural characterisation and evidence about hypoglycaemic and hypolipidaemic effects. A review, , Food Chemistry, 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, , Industrial Crops and Products, 2018 ...

RIP1–HAT1–SIRT complex identification and targeting in treatment and prevention of cancer, , Clinical Cancer Research, 2018 ...

Essential oil extraction, chemical analysis and anti-Candida activity of Foeniculum vulgare Miller–new approaches, , Natural Product Research, 2018 ...

Sideritis romana L. subsp. purpurea (Tal. ex Benth.) Heywood, a new chemotype from Montenegro, , Natural Product Research, 2018 ...

Ab-initio and experimental study of pentose sugar dehydration mechanism in the gas phase, , Carbohydrate Research, 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, , Journal of Computer-Aided Molecular Design, 2018 ...

Antimicrobial and antibiofilm activity and machine learning classification analysis of essential oils from different mediterranean plants against pseudomonas aeruginosa, , Molecules, 2018 ...

Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, new hopes–2, , Molecules, 2018 ...

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

Genotoxicity assessment of piperitenone oxide: An in vitro and in silico evaluation, , Food and Chemical Toxicology, 2017 ...

Breakthroughs in medicinal chemistry: New targets and mechanisms, new drugs, new hopes, , Molecules, 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, , Journal of Chemical Information and Modeling, 2017 ...

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

Calamintha nepeta (L.) Savi and its main essential oil constituent pulegone: Biological activities and chemistry, , Molecules, 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, , European Journal of Medicinal Chemistry, 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, , European Journal of Medicinal Chemistry, 2017 ...

Esential oils extraction: a 24-hour steam distillation systematic methodology, , Natural Product Research, 2017 ...

Exploring the first Rimonabant analog-opioid peptide hybrid compound, as bivalent ligand for CB1 and opioid receptors, , Journal of Enzyme Inhibition and Medicinal Chemistry, 2017 ...

Enhancing activity and selectivity in a series of pyrrol-1-yl-1-hydroxypyrazole-based aldose reductase inhibitors: The case of trifluoroacetylation, , European Journal of Medicinal Chemistry, 2017 ...

New Inhibitors of Indoleamine 2,3-Dioxygenase 1: Molecular Modeling Studies, Synthesis, and Biological Evaluation, , Journal of Medicinal Chemistry, 2016 ...

Structure-Based Modeling of Histone Deacetylases Inhibitors, , Epi-Informatics: Discovery and Development of Small Molecule Epigenetic Drugs and Probes, 2016 ...

Antibacterial activity of essential oils mixture against PSA, , Natural Product Research, 2016 ...

A Series of COX-2 Inhibitors Endowed with NO-Releasing Properties: Synthesis, Biological Evaluation, and Docking Analysis, , ChemMedChem, 2016 ...

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, , Journal of Computer-Aided Molecular Design, 2015 ...

Multidisciplinary approach to determine the optimal time and period for extracting the essential oil from mentha suaveolens ehrh, , Molecules, 2015 ...

Mentha suaveolens Ehrh. (Lamiaceae) essential oil and its main constituent piperitenone oxide: Biological activities and chemistry, , Molecules, 2015 ...

Binding of azole drugs to heme: A combined MS/MS and computational approach, , Polyhedron, 2015 ...

Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors, , Bioorganic and Medicinal Chemistry, 2015 ...

Effects of mentha suaveolens essential oil on chlamydia trachomatis, , BioMed Research International, 2015 ...

Exploring the role of 2-chloro-6-fluoro substitution in 2-alkylthio-6-benzyl-5-alkylpyrimidin-4(3 H)-ones: Effects in HIV-1-infected cells and in HIV-1 reverse transcriptase enzymes, , Journal of Medicinal Chemistry, 2014 ...

In vitro inhibition of herpes simplex virus type 1 replication by Mentha suaveolens essential oil and its main component piperitenone oxide, , Phytomedicine, 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, , Bioorganic and Medicinal Chemistry, 2014 ...

Hsp90 inhibitors, part 1: Definition of 3-D QSAutogrid/R models as a tool for virtual screening, , Journal of Chemical Information and Modeling, 2014 ...

Hsp90 inhibitors, part 2: Combining ligand-based and structure-based approaches for virtual screening application, , Journal of Chemical Information and Modeling, 2014 ...

Effects of mentha suaveolens essential oil alone or in combination with other drugs in candida albicans, , Evidence-based Complementary and Alternative Medicine, 2014 ...

Pharmacophore assessment through 3-D QSAR: Evaluation of the predictive ability on new derivatives by the application on a series of antitubercular agents, , Journal of Chemical Information and Modeling, 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), , European Journal of Medicinal Chemistry, 2013 ...

Biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism: Modulation at the N-portion and distal phenyl ring, , European Journal of Medicinal Chemistry, 2013 ...

Gas-phase basicity of 2-furaldehyde, , Journal of Mass Spectrometry, 2012 ...

Histone deacetylase inhibitors: Structure-based modeling and isoform-selectivity prediction, , Journal of Chemical Information and Modeling, 2012 ...

3-D QSAutogrid/R: An alternative procedure to build 3-D QSAR models. methodologies and applications, , Journal of Chemical Information and Modeling, 2012 ...

2-(Alkyl/Aryl)amino-6-benzylpyrimidin-4(3 H)-ones as inhibitors of wild-type and mutant HIV-1: Enantioselectivity studies, , Journal of Medicinal Chemistry, 2012 ...

Inhibition of hepatitis C virus NS5B polymerase by S-trityl-l-cysteine derivatives, , European Journal of Medicinal Chemistry, 2012 ...

Comprehensive model of wild-type and mutant HIV-1 reverse transciptases, , Journal of Computer-Aided Molecular Design, 2012 ...

Identification of Small-Molecule Inhibitors of the XendoU Endoribonucleases Family, , ChemMedChem, 2011 ...

Identification of glutathione-methacrylates adducts in gingival fibroblasts and erythrocytes by HPLC-MS and capillary electrophoresis, , Dental Materials, 2011 ...

Novel Cinnamyl Hydroxyamides and 2-Aminoanilides as Histone Deacetylase Inhibitors: Apoptotic Induction and Cytodifferentiation Activity, , ChemMedChem, 2011 ...

Chemically modified multiwalled carbon nanotubes electrodes with ferrocene derivatives through reactive landing, , Journal of Physical Chemistry C, 2011 ...

Beneficial effect of Mentha suaveolens essential oil in the treatment of vaginal candidiasis assessed by real-time monitoring of infection, , BMC Complementary and Alternative Medicine, 2011 ...

Letter: In vitro activity of mentha suaveolens essential oil against cryptococcus neoformans and dermatophytes, , International Journal of Essential Oil Therapeutics, 2010 ...

Combining 3-D quantitative structure-activity relationship with ligand based and structure based alignment procedures for in silico screening of new hepatitis c virus NS5B polymerase inhibitors, , Journal of Chemical Information and Modeling, 2010 ...

Design, synthesis and biological evaluation of carboxy analogues of arginine methyltransferase inhibitor 1 (AMI-1), , ChemMedChem, 2010 ...

Antimycotic activity of Achillea ageratum L. essential oil, , International Journal of Essential Oil Therapeutics, 2009 ...

Small-molecule interferon inducers. Toward the comprehension of the molecular determinants through ligand-based approaches, , Journal of Chemical Information and Modeling, 2009 ...

New pyrrole-based histone deacetylase inhibitors: Binding mode, enzyme- and cell-based investigations, , International Journal of Biochemistry and Cell Biology, 2009 ...

The tumor marker human placental protein 11 is an endoribonuclease, , Journal of Biological Chemistry, 2008 ...

In vitro activity of essential oil of Myrtus communis L. against Candida albicans, , International Journal of Essential Oil Therapeutics, 2008 ...

CYP19 (aromatase): Exploring the scaffold flexibility for novel selective inhibitors, , Bioorganic and Medicinal Chemistry, 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, , Journal of Medicinal Chemistry, 2008 ...

Class II-selective histone deacetylase inhibitors. Part 2: Alignment-independent GRIND 3-D QSAR, homology and docking studies, , European Journal of Medicinal Chemistry, 2008 ...

Synthesis and biological properties of novel 2-aminopyrimidin-4(3H)-ones highly potent against HIV-1 mutant strains, , Journal of Medicinal Chemistry, 2007 ...

Synthesis and biological validation of novel synthetic histone/protein methyltransferase inhibitors, , ChemMedChem, 2007 ...

Small molecule inhibitors of histone arginine methyltransferases: Homology modeling, molecular docking, binding mode analysis, and biological evaluations, , Journal of Medicinal Chemistry, 2007 ...

Indolyl aryl sulphones as HIV-1 reverse transcriptase inhibitors: Docking and 3D QSAR studies, , Expert Opinion on Drug Discovery, 2007 ...

Synthesis and biological properties of novel, uracil-containing histone deacetylase inhibitors, , Journal of Medicinal Chemistry, 2006 ...

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

Aroyl-pyrrolyl hydroxyamides: Influence of pyrrole C4-phenylacetyl substitution on histone deacetylase inhibition, , ChemMedChem, 2006 ...

Design, synthesis, biological evaluation, and molecular modeling studies of TIBO-like cyclic sulfones as non-nucleoside HIV-1 reverse transcriptase inhibitors, , ChemMedChem, 2006 ...

3-D QSAR studies on histone deacetylase inhibitors. A GOLPE/GRID approach on different series of compounds, , Journal of Chemical Information and Modeling, 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, , Journal of Chemical Information and Modeling, 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-carboxamide, , Antiviral Chemistry and Chemotherapy, 2006 ...

Design, synthesis, and biological evaluation of sirtinol analogues as class III histone/protein deacetylase (sirtuin) inhibitors, , Journal of Medicinal Chemistry, 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, , Antimicrobial Agents and Chemotherapy, 2005 ...

Novel 1-[2-(diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles as HIV-1 non-nucleoside reverse transcriptase inhibitors. A structure-activity relationship investigation, , Journal of Medicinal Chemistry, 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, , Bioorganic and Medicinal Chemistry, 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, , Journal of Medicinal Chemistry, 2005 ...

HIV-reverse transcriptase inhibition: Inclusion of ligand-induced fit by cross-docking studies, , Journal of Medicinal Chemistry, 2005 ...

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

Synthesis and evaluation of new tripeptide phosphonate inhibitors of MMP-8 and MMP-2, , European Journal of Medicinal Chemistry, 2005 ...

6-Aryl-2,4-dioxo-5-hexenoic acids, novel integrase inhibitors active against HIV-1 multiplication in cell-based assays, , Bioorganic and Medicinal Chemistry Letters, 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, , Journal of Medicinal Chemistry, 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, , Journal of Medicinal Chemistry, 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, , Journal of Medicinal Chemistry, 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, , Bioorganic and Medicinal Chemistry, 2004 ...

Synthesis and biological evaluation of enantiomerically pure pyrrolyloxazolidinones as a new class of potent and selective monoamine oxidase type A inhibitors, , Farmaco, 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, , Journal of Medicinal Chemistry, 2003 ...

Design, synthesis and QSAR studies on N-aryl heteroarylisopropanolamines, a new class of non-peptidic HIV-1 protease inhibitors, , Bioorganic and Medicinal Chemistry, 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, , Journal of Medicinal Chemistry, 2002 ...

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

Anti-HIV-1 NNRT agents: Acylamino Pyrryl Aryl Sulfones (APASs) as truncated analogues of tricyclic PBTDs, , Medicinal Chemistry Research, 2002 ...

Arylthiopyridylmethylisopropylpyrrole carbinols, novel NNRTIs endowed with potent anti-HIV-1 activity, , Medicinal Chemistry Research, 2002 ...

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, , Journal of Medicinal Chemistry, 2001 ...

3-(4-Aroyl-1H-pyrrol-2-yl)-N-hydroxy-2-propenamides, a new class of synthetic histone deacetylase inhibitors, , Journal of Medicinal Chemistry, 2001 ...

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

Antimycobacterial pyrroles: Synthesis, anti-Mycobacterium tuberculosis activity and QSAR studies, , Bioorganic and Medicinal Chemistry, 2000 ...

Bound conformations for ligands for G-protein coupled receptors, , Letters in Peptide Science, 1999 ...

Crystal structure of 2-[5-(4-carbethoxyphenoxy)pentanoyl]-5-chlorothiophene, C18H19O4CIS, , Zeitschrift fur Kristallographie - New Crystal Structures, 1998 ...

Iso-miconazole and related derivatives: Synthesis and antifungal activities, , Medicinal Chemistry Research, 1996 ...

Molecular modeling of azole antifungal agents active against Candida albicans. 1. A comparative molecular field analysis study, , Journal of Medicinal Chemistry, 1996 ...

Investigation on QSAR and binding mode of a new class of human rhinovirus-14 inhibitors by CoMFA and odcking experiments, , Bioorganic and Medicinal Chemistry, 1996 ...

Methyl-2-thienylketopolymethyleneoxyphenyl derivatives of alkyl-substituted 4,5-dihydro-oxazoles with anti-human picornavirus activity, , Antiviral Chemistry and Chemotherapy, 1996 ...

[[[(Thienylcarbonyl)alkyl]oxy]phenyl]- and [[[(Pyrrylcarbonyl)alkyl]oxy]phenyl]oxazoline Derivatives with Potent and Selective Antihuman Rhinovirus Activity, , Journal of Medicinal Chemistry, 1995 ...

Antifungal agents. 7. Dichlorophenylpyrrylimidazolylmethane derivatives: Synthesis and antifungal activities, , Farmaco, 1994 ...

Antifungal Agents, II: Synthesis and Antifungal Activities of Aryl‐1H‐pyrrol‐2‐yl‐1H‐imidazol‐1‐yl‐methane Derivatives with Unsaturated Chains, , Archiv der Pharmazie, 1993 ...

Synthesis of new disoxaril analogues with potent and selective anti-human rhinovirus 14 activity, , Bioorganic and Medicinal Chemistry Letters, 1991 ...