| 1. Wermuth CG.. (2004) Selective optimization of side activities: another way for drug discovery., 47 (6): [PMID:14998318] [10.1021/jm030480f] |
| 2. Yoshida F, Topliss JG.. (2000) QSAR model for drug human oral bioavailability., 43 (13): [PMID:10891117] [10.1021/jm0000564] |
| 3. Keserü GM.. (2003) Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods., 13 (16): [PMID:12873512] [10.1016/s0960-894x(03)00492-x] |
| 4. Calligaro DO, Fairhurst J, Hotten TM, Moore NA, Tupper DE. (1997) The synthesis and biological activity of some known and putative metabolites of the atypical antipsychotic agent olanzapine (LY170053), 7 (1): [10.1016/S0960-894X(96)00567-7] |
| 5. Birch AM, Bradley PA, Gill JC, Kerrigan F, Needham PL.. (1999) N-Substituted (2,3-dihydro-1,4-benzodioxin-2-yl)methylamine derivatives as D(2) antagonists/5-HT(1A) partial agonists with potential as atypical antipsychotic agents., 42 (17): [PMID:10464021] [10.1021/jm9910122] |
| 6. Campiani G, Butini S, Gemma S, Nacci V, Fattorusso C, Catalanotti B, Giorgi G, Cagnotto A, Goegan M, Mennini T, Minetti P, Di Cesare MA, Mastroianni D, Scafetta N, Galletti B, Stasi MA, Castorina M, Pacifici L, Ghirardi O, Tinti O, Carminati P.. (2002) Pyrrolo[1,3]benzothiazepine-based atypical antipsychotic agents. Synthesis, structure-activity relationship, molecular modeling, and biological studies., 45 (2): [PMID:11784139] [10.1021/jm010982y] |
| 7. Campiani G, Nacci V, Bechelli S, Ciani SM, Garofalo A, Fiorini I, Wikström H, de Boer P, Liao Y, Tepper PG, Cagnotto A, Mennini T.. (1998) New antipsychotic agents with serotonin and dopamine antagonist properties based on a pyrrolo[2,1-b][1,3]benzothiazepine structure., 41 (20): [PMID:9748351] [10.1021/jm9706832] |
| 8. Hrib NJ, Jurcak JG, Bregna DE, Burgher KL, Hartman HB, Kafka S, Kerman LL, Kongsamut S, Roehr JE, Szewczak MR, Woods-Kettelberger AT, Corbett R.. (1996) Structure-activity relationships of a series of novel (piperazinylbutyl)thiazolidinone antipsychotic agents related to 3-[4-[4-(6-fluorobenzo[b]thien-3-yl)-1-piperazinyl]butyl]-2,5,5- trimethyl-4-thiazolidinone maleate., 39 (20): [PMID:8831770] [10.1021/jm960268u] |
| 9. Rowley M, Bristow LJ, Hutson PH.. (2001) Current and novel approaches to the drug treatment of schizophrenia., 44 (4): [PMID:11170639] [10.1021/jm0002432] |
| 10. Campiani G, Butini S, Fattorusso C, Catalanotti B, Gemma S, Nacci V, Morelli E, Cagnotto A, Mereghetti I, Mennini T, Carli M, Minetti P, Di Cesare MA, Mastroianni D, Scafetta N, Galletti B, Stasi MA, Castorina M, Pacifici L, Vertechy M, Di Serio S, Ghirardi O, Tinti O, Carminati P.. (2004) Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents., 47 (1): [PMID:14695828] [10.1021/jm0309811] |
| 11. Holenz J, Mercè R, Díaz JL, Guitart X, Codony X, Dordal A, Romero G, Torrens A, Mas J, Andaluz B, Hernández S, Monroy X, Sánchez E, Hernández E, Pérez R, Cubí R, Sanfeliu O, Buschmann H.. (2005) Medicinal chemistry driven approaches toward novel and selective serotonin 5-HT6 receptor ligands., 48 (6): [PMID:15771424] [10.1021/jm049615n] |
| 12. Campiani G, Butini S, Fattorusso C, Trotta F, Gemma S, Catalanotti B, Nacci V, Fiorini I, Cagnotto A, Mereghetti I, Mennini T, Minetti P, Di Cesare MA, Stasi MA, Di Serio S, Ghirardi O, Tinti O, Carminati P.. (2005) Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies., 48 (6): [PMID:15771414] [10.1021/jm049629t] |
| 13. Fernández J, Alonso JM, Andrés JI, Cid JM, Díaz A, Iturrino L, Gil P, Megens A, Sipido VK, Trabanco AA.. (2005) Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents., 48 (6): [PMID:15771415] [10.1021/jm049632c] |
| 14. Tobita M, Nishikawa T, Nagashima R.. (2005) A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors., 15 (11): [PMID:15911273] [10.1016/j.bmcl.2005.03.080] |
| 15. Lange JH, Reinders JH, Tolboom JT, Glennon JC, Coolen HK, Kruse CG.. (2007) Principal component analysis differentiates the receptor binding profiles of three antipsychotic drug candidates from current antipsychotic drugs., 50 (21): [PMID:17880057] [10.1021/jm070516u] |
| 16. Agai-Csongor E, Nógrádi K, Galambos J, Vágó I, Bielik A, Magdó I, Ignácz-Szendrei G, Keseru GM, Greiner I, Laszlovszky I, Schmidt E, Kiss B, Sághy K, Laszy J, Gyertyán I, Zájer-Balázs M, Gémesi L, Domány G.. (2007) Novel sulfonamides having dual dopamine D2 and D3 receptor affinity show in vivo antipsychotic efficacy with beneficial cognitive and EPS profile., 17 (19): [PMID:17720494] [10.1016/j.bmcl.2007.08.015] |
| 17. Kim SF, Huang AS, Snowman AM, Teuscher C, Snyder SH.. (2007) From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase., 104 (9): [PMID:17360666] [10.1073/pnas.0611417104] |
| 18. Wan H, Ahman M, Holmén AG.. (2009) Relationship between brain tissue partitioning and microemulsion retention factors of CNS drugs., 52 (6): [PMID:19256501] [10.1021/jm801441s] |
| 19. Thai KM, Ecker GF.. (2008) A binary QSAR model for classification of hERG potassium channel blockers., 16 (7): [PMID:18243713] [10.1016/j.bmc.2008.01.017] |
| 20. Jia L, Sun H.. (2008) Support vector machines classification of hERG liabilities based on atom types., 16 (11): [PMID:18448342] [10.1016/j.bmc.2008.04.028] |
| 21. Ablordeppey SY, Altundas R, Bricker B, Zhu XY, Kumar EV, Jackson T, Khan A, Roth BL.. (2008) Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one., 16 (15): [PMID:18595716] [10.1016/j.bmc.2008.06.030] |
| 22. Butini S, Gemma S, Campiani G, Franceschini S, Trotta F, Borriello M, Ceres N, Ros S, Coccone SS, Bernetti M, De Angelis M, Brindisi M, Nacci V, Fiorini I, Novellino E, Cagnotto A, Mennini T, Sandager-Nielsen K, Andreasen JT, Scheel-Kruger J, Mikkelsen JD, Fattorusso C.. (2009) Discovery of a new class of potential multifunctional atypical antipsychotic agents targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors: design, synthesis, and effects on behavior., 52 (1): [PMID:19072656] [10.1021/jm800689g] |
| 23. Randhawa P, Farasati NA, Huang Y.. (2007) BK Virus replication in vitro: limited effect of drugs interfering with viral uptake and intracellular transport., 51 (12): [PMID:17893158] [10.1128/aac.00843-07] |
| 24. Zachariae U, Giordanetto F, Leach AG.. (2009) Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers., 52 (14): [PMID:19534531] [10.1021/jm900002x] |
| 25. Langham JJ, Cleves AE, Spitzer R, Kirshner D, Jain AN.. (2009) Physical binding pocket induction for affinity prediction., 52 (19): [PMID:19754201] [10.1021/jm901096y] |
| 26. Heffernan GD, Coghlan RD, Manas ES, McDevitt RE, Li Y, Mahaney PE, Robichaud AJ, Huselton C, Alfinito P, Bray JA, Cosmi SA, Johnston GH, Kenney T, Koury E, Winneker RC, Deecher DC, Trybulski EJ.. (2009) Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles., 17 (22): [PMID:19836247] [10.1016/j.bmc.2009.09.023] |
| 27. Pettersson F, Pontén H, Waters N, Waters S, Sonesson C.. (2010) Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16)., 53 (6): [PMID:20155917] [10.1021/jm901689v] |
| 28. Butini S, Campiani G, Franceschini S, Trotta F, Kumar V, Guarino E, Borrelli G, Fiorini I, Novellino E, Fattorusso C, Persico M, Orteca N, Sandager-Nielsen K, Jacobsen TA, Madsen K, Scheel-Kruger J, Gemma S.. (2010) Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors., 53 (12): [PMID:20481570] [10.1021/jm100294b] |
| 29. MacDonald ML, Lamerdin J, Owens S, Keon BH, Bilter GK, Shang Z, Huang Z, Yu H, Dias J, Minami T, Michnick SW, Westwick JK.. (2006) Identifying off-target effects and hidden phenotypes of drugs in human cells., 2 (6): [PMID:16680159] [10.1038/nchembio790] |
| 30. Alelyunas YW, Empfield JR, McCarthy D, Spreen RC, Bui K, Pelosi-Kilby L, Shen C.. (2010) Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate., 20 (24): [PMID:21055935] [10.1016/j.bmcl.2010.10.068] |
| 31. PubChem BioAssay data set, |
| 32. PubChem BioAssay data set, |
| 33. PubChem BioAssay data set, |
| 34. Sinha N, Sen S.. (2011) Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model., 46 (2): [PMID:21185626] [10.1016/j.ejmech.2010.11.042] |
| 35. Sinha N, Sen S.. (2011) Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model., 46 (2): [PMID:21185626] [10.1016/j.ejmech.2010.11.042] |
| 36. Fourches D, Barnes JC, Day NC, Bradley P, Reed JZ, Tropsha A.. (2010) Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species., 23 (1): [PMID:20014752] [10.1021/tx900326k] |
| 37. Matthews EJ, Kruhlak NL, Weaver JL, Benz RD, Contrera JF.. (2004) Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling., 1 (4): [PMID:16472241] [10.2174/1570163043334794] |
| 38. Kruhlak NL, Choi SS, Contrera JF, Weaver JL, Willard JM, Hastings KL, Sancilio LF.. (2008) Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models., 18 (2): [PMID:20020916] [10.1080/15376510701857262] |
| 39. Unpublished dataset, |
| 40. PubChem BioAssay data set, |
| 41. (2008) Casarett and Doull's Toxicology The Basic Science of Poisons, 7th edition, |
| 42. Krogsgaard-Larsen N, Jensen AA, Kehler J.. (2010) Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands., 20 (18): [PMID:20719507] [10.1016/j.bmcl.2010.07.105] |
| 43. Abraham MH, Ibrahim A, Acree WE.. (2008) Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs., 43 (3): [PMID:17544548] [10.1016/j.ejmech.2007.04.002] |
| 44. Kiang TK, Ensom MH, Chang TK.. (2005) UDP-glucuronosyltransferases and clinical drug-drug interactions., 106 (1): [PMID:15781124] [10.1016/j.pharmthera.2004.10.013] |
| 45. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, |
| 46. Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W.. (2011) Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps)., 7 (12): [PMID:22194678] [10.1371/journal.pcbi.1002310] |
| 47. Sakatis MZ, Reese MJ, Harrell AW, Taylor MA, Baines IA, Chen L, Bloomer JC, Yang EY, Ellens HM, Ambroso JL, Lovatt CA, Ayrton AD, Clarke SE.. (2012) Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds., 25 (10): [PMID:22931300] [10.1021/tx300075j] |
| 48. Boulton DW, DeVane CL, Liston HL, Markowitz JS.. (2002) In vitro P-glycoprotein affinity for atypical and conventional antipsychotics., 71 (1): [PMID:12031686] [10.1016/s0024-3205(02)01680-6] |
| 49. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
| 50. Berlin M, Boyce CW, Ruiz Mde L.. (2011) Histamine H3 receptor as a drug discovery target., 54 (1): [PMID:21062081] [10.1021/jm100064d] |
| 51. Zajdel P, Kurczab R, Grychowska K, Satała G, Pawłowski M, Bojarski AJ.. (2012) The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT₇ receptor antagonists., 56 [PMID:22926225] [10.1016/j.ejmech.2012.07.043] |
| 52. Raheem IT, Breslin MJ, Fandozzi C, Fuerst J, Hill N, Huszar S, Kandebo M, Kim SH, Ma B, McGaughey G, Renger JJ, Schreier JD, Sharma S, Smith S, Uslaner J, Yan Y, Coleman PJ, Cox CD.. (2012) Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia., 22 (18): [PMID:22892116] [10.1016/j.bmcl.2012.07.072] |
| 53. Maggio R, Scarselli M, Novi F, Corsini GU. (2004) Heterodimerization of G-Protein-Coupled Receptors Reveals an Unexpected Level of Pharmacological Diversity, 13 (1): [10.1007/s00044-004-0006-x] |
| 54. PubChem BioAssay data set, |
| 55. Gao M, Shi Z, Wang M, Zheng QH.. (2013) [11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand., 23 (7): [PMID:23466228] [10.1016/j.bmcl.2013.02.045] |
| 56. Settimo L, Bellman K, Knegtel RM.. (2013) Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds., [PMID:24249037] [10.1007/s11095-013-1232-z] |
| 57. Biour M, Ben Salem C, Chazouillères O, Grangé JD, Serfaty L, Poupon R.. (2004) [Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs]., 28 (8-9): [PMID:15646539] [10.1016/s0399-8320(04)95062-2] |
| 58. PubChem BioAssay data set, |
| 59. PubChem BioAssay data set, |
| 60. Bandyopadhyaya A, Rajagopalan DR, Rath NP, Herrold A, Rajagopalan R, Napier TC, Tedford CE, Rajagopalan P. (2012) The synthesis and receptor binding affinities of DDD-016, a novel, potential, atypical antipsychotic, 3 (5): [10.1039/C2MD00311B] |
| 61. Li P, Zhang Q, Robichaud AJ, Lee T, Tomesch J, Yao W, Beard JD, Snyder GL, Zhu H, Peng Y, Hendrick JP, Vanover KE, Davis RE, Mates S, Wennogle LP.. (2014) Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders., 57 (6): [PMID:24559051] [10.1021/jm401958n] |
| 62. Handzlik J, Bojarski AJ, Satała G, Kubacka M, Sadek B, Ashoor A, Siwek A, Więcek M, Kucwaj K, Filipek B, Kieć-Kononowicz K.. (2014) SAR-studies on the importance of aromatic ring topologies in search for selective 5-HT(7) receptor ligands among phenylpiperazine hydantoin derivatives., 78 [PMID:24691057] [10.1016/j.ejmech.2014.01.065] |
| 63. Selent J, Marti-Solano M, Rodríguez J, Atanes P, Brea J, Castro M, Sanz F, Loza MI, Pastor M.. (2014) Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles., 77 [PMID:24631727] [10.1016/j.ejmech.2014.02.058] |
| 64. Kołaczkowski M, Marcinkowska M, Bucki A, Pawłowski M, Mitka K, Jaśkowska J, Kowalski P, Kazek G, Siwek A, Wasik A, Wesołowska A, Mierzejewski P, Bienkowski P.. (2014) Novel arylsulfonamide derivatives with 5-HT₆/5-HT₇ receptor antagonism targeting behavioral and psychological symptoms of dementia., 57 (11): [PMID:24805037] [10.1021/jm401895u] |
| 65. Mark Wenlock and Nicholas Tomkinson. Experimental in vitro DMPK and physicochemical data on a set of publicly disclosed compounds, [10.6019/CHEMBL3301361] |
| 66. Sampson D, Bricker B, Zhu XY, Peprah K, Lamango NS, Setola V, Roth BL, Ablordeppey SY.. (2014) Further evaluation of the tropane analogs of haloperidol., 24 (17): [PMID:25070422] [10.1016/j.bmcl.2014.07.018] |
| 67. Brindisi M, Butini S, Franceschini S, Brogi S, Trotta F, Ros S, Cagnotto A, Salmona M, Casagni A, Andreassi M, Saponara S, Gorelli B, Weikop P, Mikkelsen JD, Scheel-Kruger J, Sandager-Nielsen K, Novellino E, Campiani G, Gemma S.. (2014) Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies., 57 (22): [PMID:25343529] [10.1021/jm501119j] |
| 68. Partyka A, Chłoń-Rzepa G, Wasik A, Jastrzębska-Więsek M, Bucki A, Kołaczkowski M, Satała G, Bojarski AJ, Wesołowska A.. (2015) Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT₁A receptor functional profile., 23 (1): [PMID:25435254] [10.1016/j.bmc.2014.11.008] |
| 69. Zagórska A, Kołaczkowski M, Bucki A, Siwek A, Kazek G, Satała G, Bojarski AJ, Partyka A, Wesołowska A, Pawłowski M.. (2015) Structure-activity relationships and molecular studies of novel arylpiperazinylalkyl purine-2,4-diones and purine-2,4,8-triones with antidepressant and anxiolytic-like activity., 97 [PMID:25965777] [10.1016/j.ejmech.2015.04.046] |
| 70. Nakayama S, Takakusa H, Watanabe A, Miyaji Y, Suzuki W, Sugiyama D, Shiosakai K, Honda K, Okudaira N, Izumi T, Okazaki O.. (2011) Combination of GSH trapping and time-dependent inhibition assays as a predictive method of drugs generating highly reactive metabolites., 39 (7): [PMID:21467212] [10.1124/dmd.111.039180] |
| 71. Drug metabolism data, |
| 72. Deng X, Guo L, Xu L, Zhen X, Yu K, Zhao W, Fu W.. (2015) Discovery of novel potent and selective ligands for 5-HT2A receptor with quinazoline scaffold., 25 (18): [PMID:26227779] [10.1016/j.bmcl.2015.07.030] |
| 73. (2013) Methods and compositions for sleep disorders and other disorders, |
| 74. (2014) Pyrimidinyl-piperazines useful as D3/D2 receptor ligands, |
| 75. Abdel-Fattah MAO, Abadi AH, Lehmann J, Schweikert PM, Enzensperger C. (2015) D1-like receptors distinguishing thieno-azecine regioisomers, 6 (9): [10.1039/C5MD00258C] |
| 76. Kucwaj-Brysz K, Warszycki D, Podlewska S, Witek J, Witek K, González Izquierdo A, Satała G, Loza MI, Lubelska A, Latacz G, Bojarski AJ, Castro M, Kieć-Kononowicz K, Handzlik J.. (2016) Rational design in search for 5-phenylhydantoin selective 5-HT7R antagonists. Molecular modeling, synthesis and biological evaluation., 112 [PMID:26900658] [10.1016/j.ejmech.2016.02.024] |
| 77. WHO Anatomical Therapeutic Chemical Classification, |
| 78. British National Formulary (72nd edition), |
| 79. DrugMatrix, [10.6019/CHEMBL3885881] |
| 80. DailyMed|setid=d976599a-0ee0-4fa4-afe6-bdfbca570afe | OLANZAPINE - olanzapine tablet, film coated|Rebel Distributors Corp, |
| 81. Staroń J, Mordalski S, Warszycki D, Satała G, Hogendorf A, Bojarski AJ.. (2017) Pyrano[2,3,4-cd]indole as a Scaffold for Selective Nonbasic 5-HT6R Ligands., 8 (4): [PMID:28435524] [10.1021/acsmedchemlett.6b00482] |
| 82. Warner DJ, Chen H, Cantin LD, Kenna JG, Stahl S, Walker CL, Noeske T.. (2012) Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification., 40 (12): [PMID:22961681] [10.1124/dmd.112.047068] |
| 83. Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.. (2013) A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development., 136 (1): [PMID:23956101] [10.1093/toxsci/kft176] |
| 84. Chen M, Suzuki A, Thakkar S, Yu K, Hu C, Tong W.. (2016) DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans., 21 (4): [PMID:26948801] [10.1016/j.drudis.2016.02.015] |
| 85. Kucwaj-Brysz K, Kurczab R, Jastrzębska-Więsek M, Żesławska E, Satała G, Nitek W, Partyka A, Siwek A, Jankowska A, Wesołowska A, Kieć-Kononowicz K, Handzlik J.. (2018) Computer-aided insights into receptor-ligand interaction for novel 5-arylhydantoin derivatives as serotonin 5-HT7 receptor agents with antidepressant activity., 147 [PMID:29425815] [10.1016/j.ejmech.2018.01.093] |
| 86. Zajdel P, Kos T, Marciniec K, Satała G, Canale V, Kamiński K, Hołuj M, Lenda T, Koralewski R, Bednarski M, Nowiński L, Wójcikowski J, Daniel WA, Nikiforuk A, Nalepa I, Chmielarz P, Kuśmierczyk J, Bojarski AJ, Popik P.. (2018) Novel multi-target azinesulfonamides of cyclic amine derivatives as potential antipsychotics with pro-social and pro-cognitive effects., 145 [PMID:29407591] [10.1016/j.ejmech.2018.01.002] |
| 87. Kucwaj-Brysz K, Kurczab R, Żesławska E, Lubelska A, Marć MA, Latacz G, Satała G, Nitek W, Kieć-Kononowicz K, Handzlik J.. (2018) The role of aryl-topology in balancing between selective and dual 5-HT7R/5-HT1A actions of 3,5-substituted hydantoins., 9 (6): [PMID:30108992] [10.1039/C8MD00168E] |
| 88. Unpublished dataset, |
| 89. 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] |
| 90. Bernhard Ellinger, Denisa Bojkova, Andrea Zaliani, Jindrich Cinatl, Carsten Claussen, Sandra Westhaus, Jeanette Reinshagen, Maria Kuzikov, Markus Wolf, Gerd Geisslinger, Philip Gribbon, Sandra Ciesek. (2020) Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection, [10.21203/rs.3.rs-23951/v1] |
| 91. David E Gordon, Gwendolyn M Jang, Mehdi Bouhaddou, Jiewei Xu, Kirsten Obernier, Kris M White, Matthew J O'Meara, Veronica V Rezelj, Jeffrey Z Guo, Danielle L Swaney, et al. (2020) A SARS-CoV-2 protein interaction map reveals targets for drug repurposing, [PMID:32353859] [10.1038/s41586-020-2286-9] |
| 92. Staroń J, Kurczab R, Warszycki D, Satała G, Krawczyk M, Bugno R, Lenda T, Popik P, Hogendorf AS, Hogendorf A, Dubiel K, Matłoka M, Moszczyński-Pętkowski R, Pieczykolan J, Wieczorek M, Zajdel P, Bojarski AJ.. (2020) Virtual screening-driven discovery of dual 5-HT6/5-HT2A receptor ligands with pro-cognitive properties., 185 [PMID:31734022] [10.1016/j.ejmech.2019.111857] |
| 93. Hogendorf AS, Hogendorf A, Kurczab R, Kalinowska-Tłuścik J, Popik P, Nikiforuk A, Krawczyk M, Satała G, Lenda T, Knutelska J, Bugno R, Staroń J, Pietruś W, Matłoka M, Dubiel K, Moszczyński-Pętkowski R, Pieczykolan J, Wieczorek M, Pilarski B, Zajdel P, Bojarski AJ.. (2019) 2-Aminoimidazole-based antagonists of the 5-HT6 receptor - A new concept in aminergic GPCR ligand design., 179 [PMID:31229883] [10.1016/j.ejmech.2019.06.001] |
| 94. Ali W, Więcek M, Łażewska D, Kurczab R, Jastrzębska-Więsek M, Satała G, Kucwaj-Brysz K, Lubelska A, Głuch-Lutwin M, Mordyl B, Siwek A, Nasim MJ, Partyka A, Sudoł S, Latacz G, Wesołowska A, Kieć-Kononowicz K, Handzlik J.. (2019) Synthesis and computer-aided SAR studies for derivatives of phenoxyalkyl-1,3,5-triazine as the new potent ligands for serotonin receptors 5-HT6., 178 [PMID:31229876] [10.1016/j.ejmech.2019.06.022] |
| 95. Ślifirski G, Król M, Kleps J, Podsadni P, Belka M, Bączek T, Siwek A, Stachowicz K, Szewczyk B, Nowak G, Bojarski A, Kozioł AE, Turło J, Herold F.. (2019) Synthesis of new 5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT1A receptor ligands., 180 [PMID:31325785] [10.1016/j.ejmech.2019.07.027] |
| 96. Hogendorf AS, Hogendorf A, Popiołek-Barczyk K, Ciechanowska A, Mika J, Satała G, Walczak M, Latacz G, Handzlik J, Kieć-Kononowicz K, Ponimaskin E, Schade S, Zeug A, Bijata M, Kubicki M, Kurczab R, Lenda T, Staroń J, Bugno R, Duszyńska B, Pilarski B, Bojarski AJ.. (2019) Fluorinated indole-imidazole conjugates: Selective orally bioavailable 5-HT7 receptor low-basicity agonists, potential neuropathic painkillers., 170 [PMID:30904783] [10.1016/j.ejmech.2019.03.017] |
| 97. Ślifirski G, Król M, Kleps J, Ulenberg S, Belka M, Bączek T, Siwek A, Stachowicz K, Szewczyk B, Nowak G, Bojarski A, Kozioł AE, Turło J, Herold F.. (2019) Synthesis of novel pyrido[1,2-c]pyrimidine derivatives with rigidized tryptamine moiety as potential SSRI and 5-HT1A receptor ligands., 166 [PMID:30703658] [10.1016/j.ejmech.2019.01.031] |
| 98. 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] |
| 99. 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] |
| 100. 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] |
| 101. 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] |
| 102. Johannes Zuegg, Alysha Elliott, Maite Amado, Emma Cowie, Ali Hinton, Geraldine Kaeslin, Angela Kavanagh, Anne Kunert, Gabriell Lowe, Soumya Ramu, Janet Reid, Robin Trauer, Mathilde Desselle, Ruth Neale, Karl Hansford, Mark Blascovich, Matthew Cooper. CO-ADD screening of NIH (USA) - Clinical Collection, [10.6019/CHEMBL4513141] |
| 103. Ellen Van Damme. (2021) Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity, [10.6019/CHEMBL4651402] |
| 104. Watanabe H,Ishida K,Yamamoto M,Horiguchi M,Isobe Y. (2020) Synthesis and pharmacological evaluation of 11-(1,6-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-5H-dibenzo[b,e][1,4]diazepines with clozapine-like receptor occupancy at dopamine D/D receptor., 30 (21.0): [PMID:32976928] [10.1016/j.bmcl.2020.127563] |
| 105. Xu JW,Qi YL,Wu JW,Yuan RX,Chen XW,Li JQ. (2021) Synthesis and biological evaluation of novel antipsychotic trans-4-(2-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)ethyl)cyclohexan-1-amine derivatives targeting dopamine/serotonin receptor subtypes., 31 [PMID:33189775] [10.1016/j.bmcl.2020.127681] |
| 106. 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] |
| 107. Watanabe H, Ishida K, Yamamoto M, Nakako T, Horiguchi M, Isobe Y.. (2021) Identification of 2-fluoro-8-methyl-11-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5H-dibenzo[b,e][1,4]diazepine with clozapine-like mixed activities at muscarinic acetylcholine, dopamine, and serotonin receptors., 40 [PMID:33691168] [10.1016/j.bmcl.2021.127911] |
| 108. Sudoł S, Kucwaj-Brysz K, Kurczab R, Wilczyńska N, Jastrzębska-Więsek M, Satała G, Latacz G, Głuch-Lutwin M, Mordyl B, Żesławska E, Nitek W, Partyka A, Buzun K, Doroz-Płonka A, Wesołowska A, Bielawska A, Handzlik J.. (2020) Chlorine substituents and linker topology as factors of 5-HT6R activity for novel highly active 1,3,5-triazine derivatives with procognitive properties in vivo., 203 [PMID:32693296] [10.1016/j.ejmech.2020.112529] |
| 109. Marcinkowska M, Bucki A, Sniecikowska J, Zagórska A, Fajkis-Zajączkowska N, Siwek A, Gluch-Lutwin M, Żmudzki P, Jastrzebska-Wiesek M, Partyka A, Wesołowska A, Abram M, Przejczowska-Pomierny K, Cios A, Wyska E, Mika K, Kotańska M, Mierzejewski P, Kolaczkowski M.. (2021) Multifunctional Arylsulfone and Arylsulfonamide-Based Ligands with Prominent Mood-Modulating Activity and Benign Safety Profile, Targeting Neuropsychiatric Symptoms of Dementia., 64 (17.0): [PMID:34436892] [10.1021/acs.jmedchem.1c00497] |
| 110. Sutherland JJ, Yonchev D, Fekete A, Urban L.. (2023) A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs., 14 (1): [PMID:37468498] [10.1038/s41467-023-40064-9] |
| 111. Zimmermann M, Zimmermann-Kogadeeva M, Wegmann R, Goodman AL.. (2019) Mapping human microbiome drug metabolism by gut bacteria and their genes., 570 (7762): [PMID:31158845] [10.1038/s41586-019-1291-3] |
| 112. European Medicines Agency, |
