Lista de obras - Giuseppe Bifulco - Dominio Público Uruguay

1H-1H scalar coupling across two stacked aromatic rings: DFT calculations and experimental proof

artículo científico publicado en 2008

2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors

artículo científico publicado en 2016

2′-Methyl taxanes: synthesis and NMR configurational assignment

4-Methylenesterols from Theonella swinhoei sponge are natural pregnane-X-receptor agonists and farnesoid-X-receptor antagonists that modulate innate immunity

artículo científico publicado en 2012

9H-purine scaffold reveals induced-fit pocket plasticity of the BRD9 bromodomain

artículo científico publicado en 2015

A Combinatorial Virtual Screening Approach Driving the Synthesis of 2,4-Thiazolidinedione-Based Molecules as New Dual mPGES-1/5-LO Inhibitors

artículo científico publicado en 2020

A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors.

artículo científico publicado en 2013

Advances in the Universal NMR Database Approach. 2‘-Substituted Taxanes as Probes for an Improved Protocol of Diastereomeric Differentiation

artículo científico publicado en 2005

Androstanes and pregnanes from Trichilia emetica ssp. suberosa J.J. de Wilde.

artículo científico publicado en 2013

Anti-inflammatory and analgesic activity of carnosol and carnosic acid in vivo and in vitro and in silico analysis of their target interactions.

artículo científico publicado en 2016

Anti-inflammatory trends of new benzimidazole derivatives.

artículo científico publicado en 2016

Bio-inspired benzo[k,l]xanthene lignans: synthesis, DNA-interaction and antiproliferative properties

scientific article published on 01 May 2014

Bissubvilides A and B, Cembrane-Capnosane Heterodimers from the Soft Coral Sarcophyton subviride.

artículo científico publicado en 2016

Can Small Chemical Modifications of Natural Pan-inhibitors Modulate the Biological Selectivity? The Case of Curcumin Prenylated Derivatives Acting as HDAC or mPGES-1 Inhibitors

artículo científico publicado en 2015

Celebesides A-C and theopapuamides B-D, depsipeptides from an Indonesian sponge that inhibit HIV-1 entry.

artículo científico publicado en 2009

Chemical proteomics reveals HSP70 1A as a target for the anticancer diterpene oridonin in Jurkat cells

artículo científico publicado en 2013

Chemistry and Selective Tumor Cell Growth Inhibitory Activity of Polyketides from the South China Sea Sponge Plakortis sp.

artículo científico publicado en 2017

Chrysophaentins A-H, antibacterial bisdiarylbutene macrocycles that inhibit the bacterial cell division protein FtsZ.

artículo científico publicado en 2010

Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products

scientific article published on 01 October 2004

Conformation-activity relationship of peptide T and new pseudocyclic hexapeptide analogs

artículo científico publicado en 2007

Conformationally locked calixarene-based histone deacetylase inhibitors

artículo científico publicado en 2010

Conicasterol E, a small heterodimer partner sparing farnesoid X receptor modulator endowed with a pregnane X receptor agonistic activity, from the marine sponge Theonella swinhoei.

artículo científico publicado en 2011

Correction: Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors

artículo científico publicado en 2016

Cyclic Diarylheptanoids from Corylus avellana Green Leafy Covers: Determination of Their Absolute Configurations and Evaluation of Their Antioxidant and Antimicrobial Activities.

artículo científico publicado en 2017

DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of Data

scientific article published on 04 February 2020

DFT/NMR integrated approach: a valid support to the total synthesis of chiral molecules

scientific article published on 01 October 2008

Design and synthesis of a second series of triazole-based compounds as potent dual mPGES-1 and 5-lipoxygenase inhibitors ⬇️

artículo científico publicado el 18 de mayo de 2012

Design, synthesis, and biological activity of hydroxamic tertiary amines as histone deacetylase inhibitors

artículo científico publicado en 2012

Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.

artículo científico publicado en 2007

Differential-frequency saturation transfer difference NMR spectroscopy allows the detection of different ligand-DNA binding modes

artículo científico publicado en 2005

Direct interaction of garcinol and related polyisoprenylated benzophenones of Garcinia cambogia fruits with the transcription factor STAT-1 as a likely mechanism of their inhibitory effect on cytokine signaling pathways.

artículo científico publicado en 2014

Discovery and Synthesis of Namalide Reveals a New Anabaenopeptin Scaffold and Peptidase Inhibitor ⬇️

artículo científico publicado el 5 de enero de 2012

Discovery of 3-hydroxy-3-pyrrolin-2-one-based mPGES-1 inhibitors using a multi-step virtual screening protocol

scientific article published on 20 November 2018

Discovery of new molecular entities able to strongly interfere with Hsp90 C-terminal domain

artículo científico publicado en 2018

Discovery that theonellasterol a marine sponge sterol is a highly selective FXR antagonist that protects against liver injury in cholestasis

artículo científico publicado en 2012

Down regulation of pro-inflammatory pathways by tanshinone IIA and cryptotanshinone in a non-genetic mouse model of Alzheimer's disease

artículo científico publicado en 2017

Effect of electronegative substituents and angular dependence on the heteronuclear spin-spin coupling constant 3J(C-H): an empirical prediction equation derived by density functional theory calculations.

artículo científico publicado en 2010

Elucidating heteroatom influence on homonuclear 4 J(H,H) coupling constants by DFT/NMR approach

artículo científico publicado en 2019

Elucidating new structural features of the triazole scaffold for the development of mPGES-1 inhibitors

Exploration of the dihydropyrimidine scaffold for the development of new potential anti-inflammatory agents blocking prostaglandin E₂ synthase-1 enzyme (mPGES-1).

artículo científico publicado en 2014

Extension of the J-based configuration analysis to multiple conformer equilibria: an application to sapinofuranone A

scientific article published on 01 August 2002

Farnesoid X receptor agonist for the treatment of liver and metabolic disorders: focus on 6-ethyl-CDCA.

artículo científico publicado en 2011

Fibril aggregation inhibitory activity of the beta-sheet breaker peptides: a molecular docking approach

scientific article published on 01 March 2009

Flavanocoumarins from Guazuma ulmifolia bark and evaluation of their affinity for STAT1.

artículo científico publicado en 2012

Further Brominated Bis- and Tris-Indole Alkaloids from the Deep-Water New Caledonian Marine Sponge Orina sp ⬇️

artículo científico publicado el 1 de agosto de 1995

Fusicoccane Diterpenes from Hypoestes forsskaolii as Heat Shock Protein 90 (Hsp90) Modulators

scientific article published on 06 March 2019

Garcinol and Related Polyisoprenylated Benzophenones as Topoisomerase II Inhibitors: Biochemical and Molecular Modeling Studies

artículo científico publicado en 2019

Giffonins J-P, Highly Hydroxylated Cyclized Diarylheptanoids from the Leaves of Corylus avellana Cultivar "Tonda di Giffoni".

artículo científico publicado en 2015

Glucopyranosylbianthrones from the Algerian Asphodelus tenuifolius: Structural Insights and Biological Evaluation on Melanoma Cancer Cells

artículo científico publicado en 2018

Gracilioethers E–J, new oxygenated polyketides from the marine sponge Plakinastrella mamillaris

article

Halipeptins A and B: two novel potent anti-inflammatory cyclic depsipeptides from the Vanuatu marine sponge Haliclona species.

artículo científico publicado en 2001

Hyalachelins A–C, Unusual Siderophores Isolated from the Terrestrial Myxobacterium Hyalangium minutum

scientific article published on 24 July 2014

Identification and mechanism of action analysis of the new PARP-1 inhibitor 2″-hydroxygenkwanol A.

artículo científico publicado en 2015

Identification of Limonol Derivatives as Heat Shock Protein 90 (Hsp90) Inhibitors through a Multidisciplinary Approach

artículo científico publicado en 2016

Identification of lead compounds as antagonists of protein Bcl-xL with a diversity-oriented multidisciplinary approach

artículo científico publicado en 2009

Identification of novel microsomal prostaglandin E2 synthase-1 (mPGES-1) lead inhibitors from Fragment Virtual Screening

artículo científico publicado en 2016

Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors.

artículo científico publicado en 2016

Immunomodulatory Biscembranoids and Assignment of Their Relative and Absolute Configurations: Data Set Modulation in the Density Functional Theory/Nuclear Magnetic Resonance Approach

scientific article published on 08 April 2019

Inverse Virtual Screening allows the discovery of the biological activity of natural compounds.

artículo científico publicado en 2012

Inverse virtual screening of antitumor targets: pilot study on a small database of natural bioactive compounds.

artículo científico publicado en 2011

Lactoferrin-derived Peptides Active towards Influenza: Identification of Three Potent Tetrapeptide Inhibitors.

artículo científico publicado en 2017

Marine sponge steroids as nuclear receptor ligands.

artículo científico publicado en 2012

Modification in the side chain of solomonsterol A: discovery of cholestan disulfate as a potent pregnane-X-receptor agonist.

artículo científico publicado en 2012

Molecular decodification of gymnemic acids from Gymnema sylvestre. Discovery of a new class of liver X receptor antagonists

artículo científico publicado en 2015

Molecular insights into azumamide e histone deacetylases inhibitory activity

artículo científico publicado en 2007

Molecular mechanism of tanshinone IIA and cryptotanshinone in platelet anti-aggregating effects: an integrated study of pharmacology and computational analysis

artículo científico publicado en 2014

Molecular modeling studies toward the structural optimization of new cyclopeptide-based HDAC inhibitors modeled on the natural product FR235222.

artículo científico publicado en 2008

Mutremdamide A and koshikamides C-H, peptide inhibitors of HIV-1 entry from different Theonella species ⬇️

artículo científico publicado en 2010

NMR Structure of the (+)‐CPI‐indole/d(GACTAATTGAC)‐d(GTCAATTAGTC) Covalent Complex ⬇️

artículo científico publicado el 7 de noviembre de 2003

Natural iminosugar (+)-lentiginosine inhibits ATPase and chaperone activity of hsp90

artículo científico publicado en 2012

New antiproliferative 14,15-secopregnane glycosides from Solenostemma argel

New bisindole alkaloids of the topsentin and hamacanthin classes from the Mediterranean marine sponge Rhaphisia lacazei

scientific article published on 01 April 2000

New steroids with a rearranged skeleton as (h)P300 inhibitors from the sponge Theonella swinhoei

artículo científico publicado en 2014

On the role of stereo-electronic effects in tuning the selectivity and rate of DNA alkylation by duocarmycins

scientific article published on 27 February 2006

Oxygenated polyketides from Plakinastrella mamillaris as a new chemotype of PXR agonists.

artículo científico publicado en 2013

Perthamides C–F, potent human antipsoriatic cyclopeptides

PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes

artículo científico publicado en 2024

Pharmacological evaluation and docking studies of α,β-unsaturated carbonyl based synthetic compounds as inhibitors of secretory phospholipase A₂, cyclooxygenases, lipoxygenase and proinflammatory cytokines

artículo científico publicado en 2014

Phytochemical Characterization and Pharmacological Properties of Lichen Extracts from Cetrarioid Clade by Multivariate Analysis and Molecular Docking

Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanical calculations of (13)C chemical shifts

artículo científico publicado en 2013

Plakilactones from the marine sponge Plakinastrella mamillaris. Discovery of a new class of marine ligands of peroxisome proliferator-activated receptor γ.

artículo científico publicado en 2012

Preliminary structure-activity relationship on theonellasterol, a new chemotype of FXR antagonist, from the marine sponge Theonella swinhoei

artículo científico publicado en 2012

Protein Preparation Automatic Protocol for High-Throughput Inverse Virtual Screening: Accelerating the Target Identification by Computational Methods

artículo científico publicado en 2019

Quantum chemical calculations of 1J(CC) coupling constants for the stereochemical determination of organic compounds

artículo científico publicado en 2013

Quantum mechanical calculations of NMR J coupling values in the determination of relative configuration in organic compounds

artículo científico publicado en 2004

Quantum mechanical calculations of conformationally relevant 1H and 13C NMR chemical shifts of N-, O-, and S-substituted calixarene systems

scientific article published on 01 January 2007

Quantum mechanical calculations of conformationally relevant 1H and 13C NMR chemical shifts of calixarene systems

scientific article published on 01 December 2005

Renieramide, a Cyclic Tripeptide from the Vanuatu SpongeRenieran. sp

artículo científico publicado en 2002

Ring-Fused Cyclic Aminals from Tetrahydro-β-carboline-Based Dipeptide Compounds

artículo científico publicado en 2017

SCSA code: applications on the cyclopeptide renieramide

artículo científico publicado en 2004

Solomonamides A and B, new anti-inflammatory peptides from Theonella swinhoei.

artículo científico publicado en 2011

Solomonsterols A and B from Theonella swinhoei. The first example of C-24 and C-23 sulfated sterols from a marine source endowed with a PXR agonistic activity

artículo científico publicado en 2010

Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4

artículo científico publicado en 2007

Structural basis for the potential antitumour activity of DNA-interacting benzo[kl]xanthene lignans

artículo científico publicado en 2010

Structural characterization of tetranortriterpenes from Pseudrocedrela kotschyi and Trichilia emetica and study of their activity towards the chaperone Hsp90

artículo científico publicado en 2012

Structural insights into Estrogen Related Receptor-β modulation: 4-methylenesterols from Theonella swinhoei sponge as the first example of marine natural antagonists.

artículo científico publicado en 2013

Structural revision of halipeptins: synthesis of the thiazoline unit and isolation of halipeptin C

Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts

artículo científico publicado en 2002

Structure-Based Design of Microsomal Prostaglandin E2 Synthase-1 (mPGES-1) Inhibitors using a Virtual Fragment Growing Optimization Scheme

artículo científico publicado en 2016

Structure-activity relationship study of 16 a-thiocamptothecins: an integrated in vitro and in silico approach

artículo científico publicado en 2010

Structure-based discovery of inhibitors of microsomal prostaglandin E2 synthase-1, 5-lipoxygenase and 5-lipoxygenase-activating protein: promising hits for the development of new anti-inflammatory agents.

artículo científico publicado en 2011

Svetamycins A-G, Unusual Piperazic Acid-Containing Peptides from Streptomyces sp.

artículo científico publicado en 2017

Synthesis, biological evaluation, and molecular docking of Ugi products containing a zinc-chelating moiety as novel inhibitors of histone deacetylases.

artículo científico publicado en 2009

Synthesis, conformational analysis and CB1 binding affinity of hairpin-like anandamide pseudopeptide mimetics

artículo científico publicado en 2006

Synthesis, conformational analysis, and cytotoxicity of new analogues of the natural cyclodepsipeptide jaspamide

artículo científico publicado en 2004

Synthesis, molecular docking and biological evaluation as HDAC inhibitors of cyclopeptide mimetics by a tandem three-component reaction and intramolecular [3+2] cycloaddition.

artículo científico publicado en 2009

Synthesis, structures, and properties of nine-, twelve-, and eighteen-membered N-benzyloxyethyl cyclic alpha-peptoids

artículo científico publicado en 2008

Synthetic and pharmacological studies on new simplified analogues of the potent actin-targeting Jaspamide.

artículo científico publicado en 2008

Targeting the Hsp90 C-terminal domain by the chemically accessible dihydropyrimidinone scaffold.

artículo científico publicado en 2015

The Bile Acid Receptor GPBAR-1 (TGR5) Modulates Integrity of Intestinal Barrier and Immune Response to Experimental Colitis ⬇️

artículo científico publicado el 27 de octubre de 2011

The binding mode of cladocoran A to the human group IIA phospholipase A(2).

artículo científico publicado en 2011

The inactivation mechanism of human group IIA phospholipase A(2) by Scalaradial

artículo científico publicado en 2012

The molecular mechanism of human group IIA phospholipase A2 inactivation by bolinaquinone.

artículo científico publicado en 2009

The structural basis for in situ activation of DNA alkylation by duocarmycin SA

artículo científico publicado en 2000

Theonellasterols and conicasterols from Theonella swinhoei. Novel marine natural ligands for human nuclear receptors.

artículo científico publicado en 2011

Tolaasins A--E, five new lipodepsipeptides produced by Pseudomonas tolaasii

artículo científico publicado en 2004

Total synthesis of azumamides A and E

artículo científico publicado en 2006

Total synthesis, NMR solution structure, and binding model of the potent histone deacetylase inhibitor FR235222

scientific article published on 01 January 2006

Towards new ligands of nuclear receptors. Discovery of malaitasterol A, an unique bis-secosterol from marine sponge Theonella swinhoei

artículo científico publicado en 2011

Tulongicin, an Antibacterial Tri-Indole Alkaloid from a Deep-Water Topsentia sp. Sponge

artículo científico publicado en 2017

Yucca gloriosa: a source of phenolic derivatives with strong antioxidant activity

scientific article published on 11 July 2007

Lista de obras de Giuseppe Bifulco

1H-1H scalar coupling across two stacked aromatic rings: DFT calculations and experimental proof

2,3-Dihydrobenzofuran privileged structures as new bioinspired lead compounds for the design of mPGES-1 inhibitors

2′-Methyl taxanes: synthesis and NMR configurational assignment

4-Methylenesterols from Theonella swinhoei sponge are natural pregnane-X-receptor agonists and farnesoid-X-receptor antagonists that modulate innate immunity

9H-purine scaffold reveals induced-fit pocket plasticity of the BRD9 bromodomain

A Combinatorial Virtual Screening Approach Driving the Synthesis of 2,4-Thiazolidinedione-Based Molecules as New Dual mPGES-1/5-LO Inhibitors

A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors.

Advances in the Universal NMR Database Approach. 2‘-Substituted Taxanes as Probes for an Improved Protocol of Diastereomeric Differentiation

Androstanes and pregnanes from Trichilia emetica ssp. suberosa J.J. de Wilde.

Anti-inflammatory and analgesic activity of carnosol and carnosic acid in vivo and in vitro and in silico analysis of their target interactions.

Anti-inflammatory trends of new benzimidazole derivatives.

Bio-inspired benzo[k,l]xanthene lignans: synthesis, DNA-interaction and antiproliferative properties

Bissubvilides A and B, Cembrane-Capnosane Heterodimers from the Soft Coral Sarcophyton subviride.

Can Small Chemical Modifications of Natural Pan-inhibitors Modulate the Biological Selectivity? The Case of Curcumin Prenylated Derivatives Acting as HDAC or mPGES-1 Inhibitors

Celebesides A-C and theopapuamides B-D, depsipeptides from an Indonesian sponge that inhibit HIV-1 entry.

Chemical proteomics reveals HSP70 1A as a target for the anticancer diterpene oridonin in Jurkat cells

Chemistry and Selective Tumor Cell Growth Inhibitory Activity of Polyketides from the South China Sea Sponge Plakortis sp.

Chrysophaentins A-H, antibacterial bisdiarylbutene macrocycles that inhibit the bacterial cell division protein FtsZ.

Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products

Conformation-activity relationship of peptide T and new pseudocyclic hexapeptide analogs

Conformationally locked calixarene-based histone deacetylase inhibitors

Conicasterol E, a small heterodimer partner sparing farnesoid X receptor modulator endowed with a pregnane X receptor agonistic activity, from the marine sponge Theonella swinhoei.

Correction: Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors

Cyclic Diarylheptanoids from Corylus avellana Green Leafy Covers: Determination of Their Absolute Configurations and Evaluation of Their Antioxidant and Antimicrobial Activities.

DFT/NMR Approach for the Configuration Assignment of Groups of Stereoisomers by the Combination and Comparison of Experimental and Predicted Sets of Data

DFT/NMR integrated approach: a valid support to the total synthesis of chiral molecules

Design and synthesis of a second series of triazole-based compounds as potent dual mPGES-1 and 5-lipoxygenase inhibitors ⬇️

Design, synthesis, and biological activity of hydroxamic tertiary amines as histone deacetylase inhibitors

Determination of relative configuration in organic compounds by NMR spectroscopy and computational methods.

Differential-frequency saturation transfer difference NMR spectroscopy allows the detection of different ligand-DNA binding modes

Direct interaction of garcinol and related polyisoprenylated benzophenones of Garcinia cambogia fruits with the transcription factor STAT-1 as a likely mechanism of their inhibitory effect on cytokine signaling pathways.

Discovery and Synthesis of Namalide Reveals a New Anabaenopeptin Scaffold and Peptidase Inhibitor ⬇️

Discovery of 3-hydroxy-3-pyrrolin-2-one-based mPGES-1 inhibitors using a multi-step virtual screening protocol

Discovery of new molecular entities able to strongly interfere with Hsp90 C-terminal domain

Discovery that theonellasterol a marine sponge sterol is a highly selective FXR antagonist that protects against liver injury in cholestasis

Down regulation of pro-inflammatory pathways by tanshinone IIA and cryptotanshinone in a non-genetic mouse model of Alzheimer's disease

Effect of electronegative substituents and angular dependence on the heteronuclear spin-spin coupling constant 3J(C-H): an empirical prediction equation derived by density functional theory calculations.

Elucidating heteroatom influence on homonuclear 4 J(H,H) coupling constants by DFT/NMR approach

Elucidating new structural features of the triazole scaffold for the development of mPGES-1 inhibitors

Exploration of the dihydropyrimidine scaffold for the development of new potential anti-inflammatory agents blocking prostaglandin E₂ synthase-1 enzyme (mPGES-1).

Extension of the J-based configuration analysis to multiple conformer equilibria: an application to sapinofuranone A

Farnesoid X receptor agonist for the treatment of liver and metabolic disorders: focus on 6-ethyl-CDCA.

Fibril aggregation inhibitory activity of the beta-sheet breaker peptides: a molecular docking approach

Flavanocoumarins from Guazuma ulmifolia bark and evaluation of their affinity for STAT1.

Further Brominated Bis- and Tris-Indole Alkaloids from the Deep-Water New Caledonian Marine Sponge Orina sp ⬇️

Fusicoccane Diterpenes from Hypoestes forsskaolii as Heat Shock Protein 90 (Hsp90) Modulators

Garcinol and Related Polyisoprenylated Benzophenones as Topoisomerase II Inhibitors: Biochemical and Molecular Modeling Studies

Giffonins J-P, Highly Hydroxylated Cyclized Diarylheptanoids from the Leaves of Corylus avellana Cultivar "Tonda di Giffoni".

Glucopyranosylbianthrones from the Algerian Asphodelus tenuifolius: Structural Insights and Biological Evaluation on Melanoma Cancer Cells

Gracilioethers E–J, new oxygenated polyketides from the marine sponge Plakinastrella mamillaris

Halipeptins A and B: two novel potent anti-inflammatory cyclic depsipeptides from the Vanuatu marine sponge Haliclona species.

Hyalachelins A–C, Unusual Siderophores Isolated from the Terrestrial Myxobacterium Hyalangium minutum

Identification and mechanism of action analysis of the new PARP-1 inhibitor 2″-hydroxygenkwanol A.

Identification of Limonol Derivatives as Heat Shock Protein 90 (Hsp90) Inhibitors through a Multidisciplinary Approach

Identification of lead compounds as antagonists of protein Bcl-xL with a diversity-oriented multidisciplinary approach

Identification of novel microsomal prostaglandin E2 synthase-1 (mPGES-1) lead inhibitors from Fragment Virtual Screening

Identification of the key structural elements of a dihydropyrimidinone core driving toward more potent Hsp90 C-terminal inhibitors.

Immunomodulatory Biscembranoids and Assignment of Their Relative and Absolute Configurations: Data Set Modulation in the Density Functional Theory/Nuclear Magnetic Resonance Approach

Inverse Virtual Screening allows the discovery of the biological activity of natural compounds.

Inverse virtual screening of antitumor targets: pilot study on a small database of natural bioactive compounds.

Lactoferrin-derived Peptides Active towards Influenza: Identification of Three Potent Tetrapeptide Inhibitors.

Marine sponge steroids as nuclear receptor ligands.

Modification in the side chain of solomonsterol A: discovery of cholestan disulfate as a potent pregnane-X-receptor agonist.

Molecular decodification of gymnemic acids from Gymnema sylvestre. Discovery of a new class of liver X receptor antagonists

Molecular insights into azumamide e histone deacetylases inhibitory activity

Molecular mechanism of tanshinone IIA and cryptotanshinone in platelet anti-aggregating effects: an integrated study of pharmacology and computational analysis

Molecular modeling studies toward the structural optimization of new cyclopeptide-based HDAC inhibitors modeled on the natural product FR235222.

Mutremdamide A and koshikamides C-H, peptide inhibitors of HIV-1 entry from different Theonella species ⬇️

NMR Structure of the (+)‐CPI‐indole/d(GACTAATTGAC)‐d(GTCAATTAGTC) Covalent Complex ⬇️

Natural iminosugar (+)-lentiginosine inhibits ATPase and chaperone activity of hsp90

New antiproliferative 14,15-secopregnane glycosides from Solenostemma argel

New bisindole alkaloids of the topsentin and hamacanthin classes from the Mediterranean marine sponge Rhaphisia lacazei

New steroids with a rearranged skeleton as (h)P300 inhibitors from the sponge Theonella swinhoei

On the role of stereo-electronic effects in tuning the selectivity and rate of DNA alkylation by duocarmycins

Oxygenated polyketides from Plakinastrella mamillaris as a new chemotype of PXR agonists.

Perthamides C–F, potent human antipsoriatic cyclopeptides

PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes

Pharmacological evaluation and docking studies of α,β-unsaturated carbonyl based synthetic compounds as inhibitors of secretory phospholipase A₂, cyclooxygenases, lipoxygenase and proinflammatory cytokines

Phytochemical Characterization and Pharmacological Properties of Lichen Extracts from Cetrarioid Clade by Multivariate Analysis and Molecular Docking