SAFINAMIDE

ID: ALA396778

Max Phase: Approved

First Approval: 2015

Molecular Formula: C17H19FN2O2

Molecular Weight: 302.35

Molecule Type: Small molecule

Associated Items:

Representations

Synonyms (3): Safinamide | EMD 1195686 | EMD-1195686
Synonyms from Alternative Forms(3):

    Trade Names(1): Xadago

    Canonical SMILES:  C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O

    Standard InChI:  InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1

    Standard InChI Key:  NEMGRZFTLSKBAP-LBPRGKRZSA-N

    Associated Targets(Human)

    Monoamine oxidase A 11911 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Monoamine oxidase B 8835 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Sodium channel protein type IX alpha subunit 8393 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Histamine H3 receptor 10389 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Serotonin 6 (5-HT6) receptor 9749 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    SH-SY5Y 11521 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Histone deacetylase 6 20808 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Acetylcholinesterase 18204 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Cytochrome P450 380 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Associated Targets(non-human)

    Monoamine oxidase A 2058 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Monoamine oxidase B 2209 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Mus musculus 284745 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Rattus norvegicus 775804 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    SARS-CoV-2 38078 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Replicase polyprotein 1ab 11336 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Acetylcholinesterase 12221 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Cholinesterase 8742 Activities

    Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

    Molecule Features

    Natural Product: NoOral: YesChemical Probe: NoParenteral: No
    Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
    Chirality: YesAvailability: YesProdrug: No

    Drug Indications

    MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

    Mechanisms of Action

    Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

    Properties

    Molecular Weight: 302.35Molecular Weight (Monoisotopic): 302.1431AlogP: 2.37#Rotatable Bonds: 7
    Polar Surface Area: 64.35Molecular Species: NEUTRALHBA: 3HBD: 2
    #RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 3#RO5 Violations (Lipinski): 0
    CX Acidic pKa: CX Basic pKa: 7.93CX LogP: 2.48CX LogD: 1.84
    Aromatic Rings: 2Heavy Atoms: 22QED Weighted: 0.83Np Likeness Score: -1.35

    References

    1. Leonetti F, Capaldi C, Pisani L, Nicolotti O, Muncipinto G, Stefanachi A, Cellamare S, Caccia C, Carotti A..  (2007)  Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase.,  50  (20): [PMID:17824599] [10.1021/jm070725e]
    2. Binda C, Wang J, Pisani L, Caccia C, Carotti A, Salvati P, Edmondson DE, Mattevi A..  (2007)  Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs.,  50  (23): [PMID:17915852] [10.1021/jm070677y]
    3. Boppana K, Dubey PK, Jagarlapudi SA, Vadivelan S, Rambabu G..  (2009)  Knowledge based identification of MAO-B selective inhibitors using pharmacophore and structure based virtual screening models.,  44  (9): [PMID:19321235] [10.1016/j.ejmech.2009.02.031]
    4. Salomé C, Salomé-Grosjean E, Stables JP, Kohn H..  (2010)  Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities.,  53  (9): [PMID:20394379] [10.1021/jm100185c]
    5. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 
    6. Stössel A, Schlenk M, Hinz S, Küppers P, Heer J, Gütschow M, Müller CE..  (2013)  Dual targeting of adenosine A(2A) receptors and monoamine oxidase B by 4H-3,1-benzothiazin-4-ones.,  56  (11): [PMID:23631427] [10.1021/jm400336x]
    7. Koch P, Akkari R, Brunschweiger A, Borrmann T, Schlenk M, Küppers P, Köse M, Radjainia H, Hockemeyer J, Drabczyńska A, Kieć-Kononowicz K, Müller CE..  (2013)  1,3-Dialkyl-substituted tetrahydropyrimido[1,2-f]purine-2,4-diones as multiple target drugs for the potential treatment of neurodegenerative diseases.,  21  (23): [PMID:24139167] [10.1016/j.bmc.2013.09.044]
    8. Mertens MD, Hinz S, Müller CE, Gütschow M..  (2014)  Alkynyl-coumarinyl ethers as MAO-B inhibitors.,  22  (6): [PMID:24560738] [10.1016/j.bmc.2014.01.046]
    9. Tzvetkov NT, Hinz S, Küppers P, Gastreich M, Müller CE..  (2014)  Indazole- and indole-5-carboxamides: selective and reversible monoamine oxidase B inhibitors with subnanomolar potency.,  57  (15): [PMID:24955776] [10.1021/jm500729a]
    10. Rojas RJ, Edmondson DE, Almos T, Scott R, Massari ME..  (2015)  Reversible and irreversible small molecule inhibitors of monoamine oxidase B (MAO-B) investigated by biophysical techniques.,  23  (4): [PMID:25600407] [10.1016/j.bmc.2014.12.063]
    11. Torregrosa R, Yang XF, Dustrude ET, Cummins TR, Khanna R, Kohn H..  (2015)  Chimeric derivatives of functionalized amino acids and α-aminoamides: compounds with anticonvulsant activity in seizure models and inhibitory actions on central, peripheral, and cardiac isoforms of voltage-gated sodium channels.,  23  (13): [PMID:25922183] [10.1016/j.bmc.2015.04.014]
    12. Choi JW, Jang BK, Cho NC, Park JH, Yeon SK, Ju EJ, Lee YS, Han G, Pae AN, Kim DJ, Park KD..  (2015)  Synthesis of a series of unsaturated ketone derivatives as selective and reversible monoamine oxidase inhibitors.,  23  (19): [PMID:26337020] [10.1016/j.bmc.2015.08.012]
    13.  (2015)  Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators, 
    14. Mostert S, Petzer A, Petzer JP..  (2016)  Inhibition of monoamine oxidase by benzoxathiolone analogues.,  26  (4): [PMID:26821818] [10.1016/j.bmcl.2016.01.034]
    15. Wang Z, Li X, Xu W, Li F, Wang J, Kong L, Wang X.  (2015)  Acetophenone derivatives: novel and potent small molecule inhibitors of monoamine oxidase B,  (12): [10.1039/C5MD00357A]
    16. Chirkova ZV, Kabanova MV, Filimonov SI, Abramov IG, Petzer A, Petzer JP, Suponitsky KY..  (2016)  An evaluation of synthetic indole derivatives as inhibitors of monoamine oxidase.,  26  (9): [PMID:27020523] [10.1016/j.bmcl.2016.03.060]
    17. WHO Anatomical Therapeutic Chemical Classification, 
    18. British National Formulary (72nd edition), 
    19. Lee J, Lee Y, Park SJ, Lee J, Kim YS, Suh YG, Lee J..  (2017)  Discovery of highly selective and potent monoamine oxidase B inhibitors: Contribution of additional phenyl rings introduced into 2-aryl-1,3,4-oxadiazin-5(6H)-one.,  130  [PMID:28273563] [10.1016/j.ejmech.2017.02.059]
    20. Fonseca A, Reis J, Silva T, Matos MJ, Bagetta D, Ortuso F, Alcaro S, Uriarte E, Borges F..  (2017)  Coumarin versus Chromone Monoamine Oxidase B Inhibitors: Quo Vadis?,  60  (16): [PMID:28753307] [10.1021/acs.jmedchem.7b00918]
    21. Mostert S, Petzer A, Petzer JP..  (2017)  The evaluation of 1,4-benzoquinones as inhibitors of human monoamine oxidase.,  135  [PMID:28456030] [10.1016/j.ejmech.2017.04.055]
    22. Yeon SK, Choi JW, Park JH, Lee YR, Kim HJ, Shin SJ, Jang BK, Kim S, Bahn YS, Han G, Lee YS, Pae AN, Park KD..  (2018)  Synthesis and evaluation of biaryl derivatives for structural characterization of selective monoamine oxidase B inhibitors toward Parkinson's disease therapy.,  26  (1): [PMID:29198609] [10.1016/j.bmc.2017.11.036]
    23. Affini A, Hagenow S, Zivkovic A, Marco-Contelles J, Stark H..  (2018)  Novel indanone derivatives as MAO B/H3R dual-targeting ligands for treatment of Parkinson's disease.,  148  [PMID:29477889] [10.1016/j.ejmech.2018.02.015]
    24. Gealageas R, Devineau A, So PPL, Kim CMJ, Surendradoss J, Buchwalder C, Heller M, Goebeler V, Dullaghan EM, Grierson DS, Putnins EE..  (2018)  Development of Novel Monoamine Oxidase-B (MAO-B) Inhibitors with Reduced Blood-Brain Barrier Permeability for the Potential Management of Noncentral Nervous System (CNS) Diseases.,  61  (16): [PMID:30016860] [10.1021/acs.jmedchem.7b01588]
    25. Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F..  (2018)  Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors.,  158  [PMID:30245401] [10.1016/j.ejmech.2018.07.056]
    26. Unpublished dataset, 
    27. Franck Touret, Magali Gilles, Karine Barral, Antoine Nougairède, Etienne Decroly, Xavier de Lamballerie, Bruno Coutard.  (2020)  In vitro screening of a FDA approved chemical library reveals potential inhibitors of SARS-CoV-2 replication,  [10.1101/2020.04.03.023846]
    28. Katie Heiser, Peter F. McLean, Chadwick T. Davis, Ben Fogelson, Hannah B. Gordon, Pamela Jacobson, Brett Hurst, Ben Miller, Ronald W. Alfa, Berton A. Earnshaw, Mason L. Victors, Yolanda T. Chong, Imran S. Haque, Adeline S. Low, Christopher C. Gibson.  (2020)  Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2,  [10.1101/2020.04.21.054387]
    29. Shetnev A, Osipyan A, Baykov S, Sapegin A, Chirkova Z, Korsakov M, Petzer A, Engelbrecht I, Petzer JP..  (2019)  Novel monoamine oxidase inhibitors based on the privileged 2-imidazoline molecular framework.,  29  (1): [PMID:30455149] [10.1016/j.bmcl.2018.11.018]
    30. Chavarria D, Fernandes C, Silva V, Silva C, Gil-Martins E, Soares P, Silva T, Silva R, Remião F, Oliveira PJ, Borges F..  (2020)  Design of novel monoamine oxidase-B inhibitors based on piperine scaffold: Structure-activity-toxicity, drug-likeness and efflux transport studies.,  185  [PMID:31711793] [10.1016/j.ejmech.2019.111770]
    31. Pisani L, Iacobazzi RM, Catto M, Rullo M, Farina R, Denora N, Cellamare S, Altomare CD..  (2019)  Investigating alkyl nitrates as nitric oxide releasing precursors of multitarget acetylcholinesterase-monoamine oxidase B inhibitors.,  161  [PMID:30366255] [10.1016/j.ejmech.2018.10.016]
    32. Łażewska D, Olejarz-Maciej A, Kaleta M, Bajda M, Siwek A, Karcz T, Doroz-Płonka A, Cichoń U, Kuder K, Kieć-Kononowicz K..  (2018)  4-tert-Pentylphenoxyalkyl derivatives - Histamine H3 receptor ligands and monoamine oxidase B inhibitors.,  28  (23-24): [PMID:30404719] [10.1016/j.bmcl.2018.10.048]
    33. Tzvetkov NT, Stammler HG, Georgieva MG, Russo D, Faraone I, Balacheva AA, Hristova S, Atanasov AG, Milella L, Antonov L, Gastreich M..  (2019)  Carboxamides vs. methanimines: Crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl)methanimines as monoamine oxidase B and acetylcholinesterase inhibitors.,  179  [PMID:31265934] [10.1016/j.ejmech.2019.06.041]
    34. Tzvetkov NT, Stammler HG, Hristova S, Atanasov AG, Antonov L..  (2019)  (Pyrrolo-pyridin-5-yl)benzamides: BBB permeable monoamine oxidase B inhibitors with neuroprotective effect on cortical neurons.,  162  [PMID:30522087] [10.1016/j.ejmech.2018.11.009]
    35. Cheng K, Li S, Lv X, Tian Y, Kong H, Huang X, Duan Y, Han J, Xie Z, Liao C..  (2019)  Design, synthesis and biological evaluation of novel human monoamine oxidase B inhibitors based on a fragment in an X-ray crystal structure.,  29  (8): [PMID:30792039] [10.1016/j.bmcl.2019.02.008]
    36. Reis J, Cagide F, Chavarria D, Silva T, Fernandes C, Gaspar A, Uriarte E, Remião F, Alcaro S, Ortuso F, Borges F..  (2016)  Discovery of New Chemical Entities for Old Targets: Insights on the Lead Optimization of Chromone-Based Monoamine Oxidase B (MAO-B) Inhibitors.,  59  (12): [PMID:27244485] [10.1021/acs.jmedchem.6b00527]
    37. Maria Kuzikov, Elisa Costanzi, Jeanette Reinshagen, Francesca Esposito, Laura Vangeel, Markus Wolf, Bernhard Ellinger, Carsten Claussen, Gerd Geisslinger, Angela Corona, Daniela Iaconis, Carmine Talarico, Candida Manelfi, Rolando Cannalire, Giulia Rossetti, Jonas Gossen, Simone Albani, Francesco Musiani, Katja Herzog, Yang Ye, Barbara Giabbai, Nicola Demitri, Dirk Jochmans, Steven De Jonghe, Jasper Rymenants, Vincenzo Summa, Enzo Tramontano, Andrea R. Beccari, Pieter Leyssen, Paola Storici, Johan Neyts, Philip Gribbon, and Andrea Zaliani.  (2020)  Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen,  [10.6019/CHEMBL4495564]
    38. Andrea Zaliani, Laura Vangeel, Jeanette Reinshagen, Daniela Iaconis, Maria Kuzikov, Oliver Keminer, Markus Wolf, Bernhard Ellinger, Francesca Esposito, Angela Corona, Enzo Tramontano, Candida Manelfi, Katja Herzog, Dirk Jochmans, Steven De Jonghe, Winston Chiu, Thibault Francken, Joost Schepers, Caroline Collard, Kayvan Abbasi, Carsten Claussen , Vincenzo Summa, Andrea R. Beccari, Johan Neyts, Philip Gribbon and Pieter Leyssen.  (2020)  Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort,  [10.6019/CHEMBL4495565]
    39. Saglik, Begum Nurpelin, Kaya Cavusoglu, Betul, Acar Cevik, Ulviye, Osmaniye, Derya, Levent, Serkan, Ozkay, Yusuf, Kaplancikli, Zafer Asim.  (2020)  Novel 1,3,4-thiadiazole compounds as potential MAO-A inhibitors - design, synthesis, biological evaluation and molecular modelling,  11  (9): [PMID:33479699] [10.1039/d0md00150c]
    40. Jin CF,Wang ZZ,Chen KZ,Xu TF,Hao GF.  (2020)  Computational Fragment-Based Design Facilitates Discovery of Potent and Selective Monoamine Oxidase-B (MAO-B) Inhibitor.,  63  (23): [PMID:33210537] [10.1021/acs.jmedchem.0c01663]
    41. Łażewska D,Bajda M,Kaleta M,Zaręba P,Doroz-Płonka A,Siwek A,Alachkar A,Mogilski S,Saad A,Kuder K,Olejarz-Maciej A,Godyń J,Stary D,Sudoł S,Więcek M,Latacz G,Walczak M,Handzlik J,Sadek B,Malawska B,Kieć-Kononowicz K.  (2020)  Rational design of new multitarget histamine H receptor ligands as potential candidates for treatment of Alzheimer's disease.,  207  [PMID:32882609] [10.1016/j.ejmech.2020.112743]
    42. Canale V,Grychowska K,Kurczab R,Ryng M,Keeri AR,Satała G,Olejarz-Maciej A,Koczurkiewicz P,Drop M,Blicharz K,Piska K,Pękala E,Janiszewska P,Krawczyk M,Walczak M,Chaumont-Dubel S,Bojarski AJ,Marin P,Popik P,Zajdel P.  (2020)  A dual-acting 5-HT receptor inverse agonist/MAO-B inhibitor displays glioprotective and pro-cognitive properties.,  208  [PMID:32949963] [10.1016/j.ejmech.2020.112765]
    43. Jismy B,El Qami A,Pišlar A,Frlan R,Kos J,Gobec S,Knez D,Abarbri M.  (2021)  Pyrimido[1,2-b]indazole derivatives: Selective inhibitors of human monoamine oxidase B with neuroprotective activity.,  209  [PMID:33071056] [10.1016/j.ejmech.2020.112911]
    44. Bernhard Ellinger, Justus Dick, Vanessa Lage-Rupprecht, Bruce Schultz, Andrea Zaliani, Marcin Namysl, Stephan Gebel, Ole Pless, Jeanette Reinshagen, Christian Ebeling, Alexander Esser, Marc Jacobs, Carsten Claussen, and Martin Hofmann-Apitius.  (2021)  HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators,  [10.6019/CHEMBL4808148]
    45. Mesiti F, Gaspar A, Chavarria D, Maruca A, Rocca R, Gil Martins E, Barreiro S, Silva R, Fernandes C, Gul S, Keminer O, Alcaro S, Borges F..  (2021)  Mapping Chromone-3-Phenylcarboxamide Pharmacophore: Quid Est Veritas?,  64  (15.0): [PMID:34269579] [10.1021/acs.jmedchem.1c00510]
    46. Kong H, Meng X, Hou R, Yang X, Han J, Xie Z, Duan Y, Liao C..  (2021)  Novel 1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-indene-4-thiol derivatives as potent selective human monoamine oxidase B inhibitors: Design, SAR development, and biological evaluation.,  43  [PMID:33887441] [10.1016/j.bmcl.2021.128051]
    47. Takao K, Takemura Y, Nagai J, Kamauchi H, Hoshi K, Mabashi R, Uesawa Y, Sugita Y..  (2021)  Synthesis and biological evaluation of 3-styrylchromone derivatives as selective monoamine oxidase B inhibitors.,  42  [PMID:34119696] [10.1016/j.bmc.2021.116255]
    48. Mesiti F, Maruca A, Silva V, Rocca R, Fernandes C, Remião F, Uriarte E, Alcaro S, Gaspar A, Borges F..  (2021)  4-Oxoquinolines and monoamine oxidase: When tautomerism matters.,  213  [PMID:33493825] [10.1016/j.ejmech.2021.113183]
    49. Brandão P, López Ó, Leitzbach L, Stark H, Fernández-Bolaños JG, Burke AJ, Pineiro M..  (2021)  Ugi Reaction Synthesis of Oxindole-Lactam Hybrids as Selective Butyrylcholinesterase Inhibitors.,  12  (11.0): [PMID:34795859] [10.1021/acsmedchemlett.1c00344]
    50. Wang Z, Yi C, Chen K, Wang T, Deng K, Jin C, Hao G..  (2022)  Enhancing monoamine oxidase B inhibitory activity via chiral fluorination: Structure-activity relationship, biological evaluation, and molecular docking study.,  228  [PMID:34871839] [10.1016/j.ejmech.2021.114025]
    51. Rullo M, Cipolloni M, Catto M, Colliva C, Miniero DV, Latronico T, de Candia M, Benicchi T, Linusson A, Giacchè N, Altomare CD, Pisani L..  (2022)  Probing Fluorinated Motifs onto Dual AChE-MAO B Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Early-ADME Studies.,  65  (5.0): [PMID:35195417] [10.1021/acs.jmedchem.1c01784]
    52. Paolino M, Rullo M, Maramai S, de Candia M, Pisani L, Catto M, Mugnaini C, Brizzi A, Cappelli A, Olivucci M, Corelli F, Altomare CD..  (2022)  Design, synthesis and biological evaluation of light-driven on-off multitarget AChE and MAO-B inhibitors.,  13  (7.0): [PMID:35923722] [10.1039/d2md00042c]
    53. Moutayakine A, Marques C, López Ó, Bagetta D, Leitzbach L, Hagenow S, Carreiro EP, Stark H, Alcaro S, Fernández-Bolaños JG, Burke AJ..  (2022)  Evaluation of chromane derivatives: Promising privileged scaffolds for lead discovery within Alzheimer's disease.,  68  [PMID:35653868] [10.1016/j.bmc.2022.116807]
    54. Liu K, Zhou S, Zhou J, Bo R, Wang X, Xu T, Yuan Y, Xu B..  (2022)  Discovery of 3, 6-disubstituted isobenzofuran-1(3H)-ones as novel inhibitors of monoamine oxidases.,  67  [PMID:35472505] [10.1016/j.bmcl.2022.128748]
    55. Grychowska K, Olejarz-Maciej A, Blicharz K, Pietruś W, Karcz T, Kurczab R, Koczurkiewicz P, Doroz-Płonka A, Latacz G, Keeri AR, Piska K, Satała G, Pęgiel J, Trybała W, Jastrzębska-Więsek M, Bojarski AJ, Lamaty F, Partyka A, Walczak M, Krawczyk M, Malikowska-Racia N, Popik P, Zajdel P..  (2022)  Overcoming undesirable hERG affinity by incorporating fluorine atoms: A case of MAO-B inhibitors derived from 1 H-pyrrolo-[3,2-c]quinolines.,  236  [PMID:35397400] [10.1016/j.ejmech.2022.114329]
    56. Jadoon R, Aamir Javed M, Saeed Jan M, Ikram M, Mahnashi MH, Sadiq A, Shahid M, Rashid U..  (2022)  Design, synthesis, in-vitro, in-vivo and ex-vivo pharmacology of thiazolidine-2,4-dione derivatives as selective and reversible monoamine oxidase-B inhibitors.,  76  [PMID:36162779] [10.1016/j.bmcl.2022.128994]
    57. Guglielmi P, Mathew B, Secci D, Carradori S..  (2020)  Chalcones: Unearthing their therapeutic possibility as monoamine oxidase B inhibitors.,  205  [PMID:32920430] [10.1016/j.ejmech.2020.112650]
    58. Hall A, Chanteux H, Ménochet K, Ledecq M, Schulze MED..  (2021)  Designing Out PXR Activity on Drug Discovery Projects: A Review of Structure-Based Methods, Empirical and Computational Approaches.,  64  (10.0): [PMID:34003642] [10.1021/acs.jmedchem.0c02245]