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  1. Article: Editorial: Novel Strategies in Drug Development Against Multifactorial Diseases.

    Esposito, Cinzia / Johansson, Catrine / Di Micco, Simone

    Frontiers in chemistry

    2022  Volume 10, Page(s) 838063

    Language English
    Publishing date 2022-01-24
    Publishing country Switzerland
    Document type Editorial
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2022.838063
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Extensive Molecular Dynamics Simulations Disclosed the Stability of mPGES-1 Enzyme and the Structural Role of Glutathione (GSH) Cofactor.

    Di Micco, Simone / Lauro, Gianluigi / Bifulco, Giuseppe

    Molecular informatics

    2022  Volume 41, Issue 12, Page(s) e2200140

    Abstract: A deep in silico investigation of various microsomal prostaglandin ... ...

    Abstract A deep in silico investigation of various microsomal prostaglandin E
    MeSH term(s) Molecular Dynamics Simulation ; Glutathione
    Chemical Substances Glutathione (GAN16C9B8O)
    Language English
    Publishing date 2022-09-29
    Publishing country Germany
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2537668-8
    ISSN 1868-1751 ; 1868-1743
    ISSN (online) 1868-1751
    ISSN 1868-1743
    DOI 10.1002/minf.202200140
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Editorial

    Cinzia Esposito / Catrine Johansson / Simone Di Micco

    Frontiers in Chemistry, Vol

    Novel Strategies in Drug Development Against Multifactorial Diseases

    2022  Volume 10

    Keywords multifactorial disease ; drug discovery ; drug resistance ; biochemistry ; drug repurposing ; Chemistry ; QD1-999
    Language English
    Publishing date 2022-01-01T00:00:00Z
    Publisher Frontiers Media S.A.
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: New Perspectives on Machine Learning in Drug Discovery.

    Musella, Simona / Verna, Giulio / Fasano, Alessio / Di Micco, Simone

    Current medicinal chemistry

    2020  Volume 28, Issue 32, Page(s) 6704–6728

    Abstract: Artificial intelligence methods, in particular, machine learning, has been playing a pivotal role in drug development, from structural design to the clinical trial. This approach is harnessing the impact of computer-aided drug discovery due to large ... ...

    Abstract Artificial intelligence methods, in particular, machine learning, has been playing a pivotal role in drug development, from structural design to the clinical trial. This approach is harnessing the impact of computer-aided drug discovery due to large available data sets for drug candidates and its new and complex manner of information interpretation to identify patterns for the study scope. In the present review, recent applications related to drug discovery and therapies are assessed, and limitations and future perspectives are analyzed.
    MeSH term(s) Artificial Intelligence ; Drug Development ; Drug Discovery ; Humans ; Machine Learning
    Language English
    Publishing date 2020-11-11
    Publishing country United Arab Emirates
    Document type Journal Article ; Review
    ZDB-ID 1319315-6
    ISSN 1875-533X ; 0929-8673
    ISSN (online) 1875-533X
    ISSN 0929-8673
    DOI 10.2174/0929867327666201111144048
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article: Identification of 2-(thiophen-2-yl)acetic Acid-Based Lead Compound for mPGES-1 Inhibition.

    Di Micco, Simone / Terracciano, Stefania / Ruggiero, Dafne / Potenza, Marianna / Vaccaro, Maria C / Fischer, Katrin / Werz, Oliver / Bruno, Ines / Bifulco, Giuseppe

    Frontiers in chemistry

    2021  Volume 9, Page(s) 676631

    Abstract: We report the implementation of ... ...

    Abstract We report the implementation of our
    Language English
    Publishing date 2021-05-07
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2021.676631
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Corrigendum: Overcome Chemoresistance: Biophysical and Structural Analysis of Synthetic FHIT-Derived Peptides.

    Scala, Maria Carmina / Di Micco, Simone / Lanzillotta, Delia / Musella, Simona / Di Sarno, Veronica / Parrino, Barbara / Cascioferro, Stella Maria / Bifulco, Giuseppe / Trapasso, Francesco / Campiglia, Pietro / Sala, Marina

    Frontiers in molecular biosciences

    2022  Volume 9, Page(s) 915838

    Abstract: This corrects the article DOI: 10.3389/fmolb.2021.715263.]. ...

    Abstract [This corrects the article DOI: 10.3389/fmolb.2021.715263.].
    Language English
    Publishing date 2022-04-29
    Publishing country Switzerland
    Document type Published Erratum
    ZDB-ID 2814330-9
    ISSN 2296-889X
    ISSN 2296-889X
    DOI 10.3389/fmolb.2022.915838
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: [Acute kidney failure in differentiation syndrome: a possible complication during therapy with differentiating agents for acute promyelocytic leukemia. A case report].

    Di Micco, Lucia / Mirenghi, Francesco / Morelli, Emanuela / De Simone, Emanuele

    Giornale italiano di nefrologia : organo ufficiale della Societa italiana di nefrologia

    2019  Volume 36, Issue 4

    Abstract: Differentiation syndrome (DS), previously known as retinoic acid syndrome or ATRA (all-trans retinoic acid) or ATO (arsenic trioxide) syndrome, is a life-threatening complication of the therapy with differentiating agents in patients with acute ... ...

    Abstract Differentiation syndrome (DS), previously known as retinoic acid syndrome or ATRA (all-trans retinoic acid) or ATO (arsenic trioxide) syndrome, is a life-threatening complication of the therapy with differentiating agents in patients with acute promyelocytic leukemia (APL). The latter is a rare subtype of acute myeloid leukemia and represents a hematological emergency. The clinical manifestations of DS, after induction therapy with differentiating agents, include unexplained fever, acute respiratory distress with interstitial pulmonary infiltrates, unexplained hypotension, peripheral edema, congestive heart failure and acute renal failure. The therapy is based on early intravenous administration of high-dose dexamethasone, in order to counteract the cytokine storm responsible for the DS. Among the supportive measures for the management of DS, furosemide (in 87% of patients) and dialysis (12% of patients) are used to manage acute renal failure, peripheral and pulmonary edema. We describe a case of acute renal failure, treated with haemodialysis, in a young patient with APL and an early and severe DS after induction therapy. This is a rare condition, not well known among nephrologists, where early recognition and treatment are crucial for the prognosis.
    MeSH term(s) Acute Kidney Injury/chemically induced ; Acute Kidney Injury/therapy ; Adult ; Antineoplastic Agents/adverse effects ; Arsenic Trioxide/adverse effects ; Dexamethasone/therapeutic use ; Edema/chemically induced ; Fever of Unknown Origin/chemically induced ; Humans ; Hypotension/chemically induced ; Induction Chemotherapy/adverse effects ; Leukemia, Promyelocytic, Acute/drug therapy ; Male ; Renal Dialysis ; Respiratory Distress Syndrome, Adult/chemically induced ; Syndrome ; Tretinoin/adverse effects
    Chemical Substances Antineoplastic Agents ; Tretinoin (5688UTC01R) ; Dexamethasone (7S5I7G3JQL) ; Arsenic Trioxide (S7V92P67HO)
    Language Italian
    Publishing date 2019-07-24
    Publishing country Italy
    Document type Case Reports ; Journal Article
    ZDB-ID 1237110-5
    ISSN 1724-5990 ; 0393-5590
    ISSN (online) 1724-5990
    ISSN 0393-5590
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article: In silico

    Di Micco, Simone / Musella, Simona / Scala, Maria C / Sala, Marina / Campiglia, Pietro / Bifulco, Giuseppe / Fasano, Alessio

    Frontiers in chemistry

    2021  Volume 8, Page(s) 628609

    Abstract: The most severe outcome of COVID-19 infection is the development of interstitial pneumonia causing acute lung injury (ALI) and/or acute respiratory distress syndrome (ARDS), both responsible for the infected patients' mortality. ALI and ARDS are ... ...

    Abstract The most severe outcome of COVID-19 infection is the development of interstitial pneumonia causing acute lung injury (ALI) and/or acute respiratory distress syndrome (ARDS), both responsible for the infected patients' mortality. ALI and ARDS are characterized by a leakage of plasma components into the lungs, compromising their ability to expand and optimally engage in gas exchange with blood, resulting in respiratory failure. We have previously reported that zonulin, a protein dictating epithelial and endothelial permeability in several districts, including the airways, is involved in ALI pathogenesis in mouse models, and that its peptide inhibitor Larazotide acetate (also called AT1001) ameliorated ALI and subsequent mortality by decreasing mucosal permeability to fluid and extravasation of neutrophils into the lungs. With the recent crystallographic resolution of the SARS-CoV-2 main protease (M
    Language English
    Publishing date 2021-01-15
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2020.628609
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Identification of 2,4-Dinitro-Biphenyl-Based Compounds as MAPEG Inhibitors.

    Di Micco, Simone / Terracciano, Stefania / Pierri, Martina / Cantone, Vincenza / Liening, Stefanie / König, Stefanie / Garscha, Ulrike / Hofstetter, Robert Klaus / Koeberle, Andreas / Werz, Oliver / Bruno, Ines / Bifulco, Giuseppe

    ChemMedChem

    2022  Volume 17, Issue 22, Page(s) e202200327

    Abstract: We identified 2,4-dinitro-biphenyl-based compounds as new inhibitors of leukotriene ... ...

    Abstract We identified 2,4-dinitro-biphenyl-based compounds as new inhibitors of leukotriene C
    MeSH term(s) Molecular Docking Simulation ; Glutathione Transferase ; 5-Lipoxygenase-Activating Proteins ; Biphenyl Compounds/pharmacology ; Prostaglandin-E Synthases/metabolism
    Chemical Substances diphenyl (2L9GJK6MGN) ; Glutathione Transferase (EC 2.5.1.18) ; 5-Lipoxygenase-Activating Proteins ; Biphenyl Compounds ; Prostaglandin-E Synthases (EC 5.3.99.3)
    Language English
    Publishing date 2022-10-11
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2218496-X
    ISSN 1860-7187 ; 1860-7179
    ISSN (online) 1860-7187
    ISSN 1860-7179
    DOI 10.1002/cmdc.202200327
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Peptide Derivatives of the Zonulin Inhibitor Larazotide (AT1001) as Potential Anti SARS-CoV-2: Molecular Modelling, Synthesis and Bioactivity Evaluation.

    Di Micco, Simone / Musella, Simona / Sala, Marina / Scala, Maria C / Andrei, Graciela / Snoeck, Robert / Bifulco, Giuseppe / Campiglia, Pietro / Fasano, Alessio

    International journal of molecular sciences

    2021  Volume 22, Issue 17

    Abstract: A novel coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has been identified as the pathogen responsible for the outbreak of a severe, rapidly developing pneumonia (Coronavirus disease 2019, COVID-19). The virus enzyme, called ... ...

    Abstract A novel coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), has been identified as the pathogen responsible for the outbreak of a severe, rapidly developing pneumonia (Coronavirus disease 2019, COVID-19). The virus enzyme, called 3CLpro or main protease (M
    MeSH term(s) Antiviral Agents/chemistry ; Antiviral Agents/metabolism ; Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use ; Binding Sites ; COVID-19/drug therapy ; COVID-19/virology ; Catalytic Domain ; Cell Line ; Cytomegalovirus/drug effects ; Drug Repositioning ; Herpesvirus 3, Human/drug effects ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Oligopeptides/chemistry ; Peptides/chemical synthesis ; Peptides/metabolism ; Peptides/pharmacology ; Peptides/therapeutic use ; SARS-CoV-2/drug effects ; SARS-CoV-2/isolation & purification ; SARS-CoV-2/metabolism ; Viral Matrix Proteins/chemistry ; Viral Matrix Proteins/metabolism
    Chemical Substances Antiviral Agents ; Oligopeptides ; Peptides ; Viral Matrix Proteins ; membrane protein, SARS-CoV-2 ; larazotide acetate (FO8S2IW40N)
    Language English
    Publishing date 2021-08-30
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2019364-6
    ISSN 1422-0067 ; 1422-0067 ; 1661-6596
    ISSN (online) 1422-0067
    ISSN 1422-0067 ; 1661-6596
    DOI 10.3390/ijms22179427
    Database MEDical Literature Analysis and Retrieval System OnLINE

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