| 1. Spaltenstein A, Almond MR, Bock WJ, Cleary DG, Furfine ES, Hazen RJ, Kazmierski WM, Salituro FG, Tung RD, Wright LL.. (2000) Novel inhibitors of HIV protease: design, synthesis and biological evaluation of picomolar inhibitors containing cyclic P1/P2 scaffolds., 10 (11): [PMID:10866371] [10.1016/s0960-894x(00)00163-3] |
| 2. Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J.. (2003) Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery., 46 (9): [PMID:12699389] [10.1021/jm021012t] |
| 3. Murphy PV, O'Brien JL, Gorey-Feret LJ, Smith AB.. (2002) Structure-based design and synthesis of HIV-1 protease inhibitors employing beta-D-mannopyranoside scaffolds., 12 (13): [PMID:12067556] [10.1016/s0960-894x(02)00220-2] |
| 4. Pyring D, Lindberg J, Rosenquist A, Zuccarello G, Kvarnström I, Zhang H, Vrang L, Unge T, Classon B, Hallberg A, Samuelsson B.. (2001) Design and synthesis of potent C(2)-symmetric diol-based HIV-1 protease inhibitors: effects of fluoro substitution., 44 (19): [PMID:11543677] [10.1021/jm001134q] |
| 5. Dorsey BD, McDonough C, McDaniel SL, Levin RB, Newton CL, Hoffman JM, Darke PL, Zugay-Murphy JA, Emini EA, Schleif WA, Olsen DB, Stahlhut MW, Rutkowski CA, Kuo LC, Lin JH, Chen IW, Michelson SR, Holloway MK, Huff JR, Vacca JP.. (2000) Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors., 43 (18): [PMID:10978186] [10.1021/jm9903848] |
| 6. Mühlman A, Classon B, Hallberg A, Samuelsson B.. (2001) Synthesis of potent C(2)-symmetric, diol-based hiv-1 protease inhibitors. Investigation of thioalkyl and thioaryl P1/P1' substituents., 44 (21): [PMID:11585445] [10.1021/jm0011169] |
| 7. Leung D, Abbenante G, Fairlie DP.. (2000) Protease inhibitors: current status and future prospects., 43 (3): [PMID:10669559] [10.1021/jm990412m] |
| 8. Markgren PO, Schaal W, Hämäläinen M, Karlén A, Hallberg A, Samuelsson B, Danielson UH.. (2002) Relationships between structure and interaction kinetics for HIV-1 protease inhibitors., 45 (25): [PMID:12459011] [10.1021/jm0208370] |
| 9. Miller JF, Furfine ES, Hanlon MH, Hazen RJ, Ray JA, Robinson L, Samano V, Spaltenstein A.. (2004) Novel arylsulfonamides possessing sub-picomolar HIV protease activities and potent anti-HIV activity against wild-type and drug-resistant viral strains., 14 (4): [PMID:15013001] [10.1016/j.bmcl.2003.12.008] |
| 10. Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.. (2005) Design of HIV-1 protease inhibitors active on multidrug-resistant virus., 48 (6): [PMID:15771440] [10.1021/jm049454n] |
| 11. Garg R, Patel D.. (2005) Hydrophobicity in the design of P2/P2' tetrahydropyrimidinone HIV protease inhibitors., 15 (16): [PMID:15993582] [10.1016/j.bmcl.2005.05.087] |
| 12. Miller JF, Brieger M, Furfine ES, Hazen RJ, Kaldor I, Reynolds D, Sherrill RG, Spaltenstein A.. (2005) Novel P1 chain-extended HIV protease inhibitors possessing potent anti-HIV activity and remarkable inverse antiviral resistance profiles., 15 (15): [PMID:15990305] [10.1016/j.bmcl.2005.05.129] |
| 13. Shuman CF, Vrang L, Danielson UH.. (2004) Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data., 47 (24): [PMID:15537350] [10.1021/jm0499110] |
| 14. Cimitan S, Lindgren MT, Bertucci C, Danielson UH.. (2005) Early absorption and distribution analysis of antitumor and anti-AIDS drugs: lipid membrane and plasma protein interactions., 48 (10): [PMID:15887962] [10.1021/jm049343o] |
| 15. Miller JF, Andrews CW, Brieger M, Furfine ES, Hale MR, Hanlon MH, Hazen RJ, Kaldor I, McLean EW, Reynolds D, Sammond DM, Spaltenstein A, Tung R, Turner EM, Xu RX, Sherrill RG.. (2006) Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: the discovery of GW0385., 16 (7): [PMID:16458505] [10.1016/j.bmcl.2006.01.035] |
| 16. Ghosh AK, Sridhar PR, Leshchenko S, Hussain AK, Li J, Kovalevsky AY, Walters DE, Wedekind JE, Grum-Tokars V, Das D, Koh Y, Maeda K, Gatanaga H, Weber IT, Mitsuya H.. (2006) Structure-based design of novel HIV-1 protease inhibitors to combat drug resistance., 49 (17): [PMID:16913714] [10.1021/jm060561m] |
| 17. Mo H, Parkin N, Stewart KD, Lu L, Dekhtyar T, Kempf DJ, Molla A.. (2007) Identification and structural characterization of I84C and I84A mutations that are associated with high-level resistance to human immunodeficiency virus protease inhibitors and impair viral replication., 51 (2): [PMID:17101675] [10.1128/aac.00690-06] |
| 18. Ntemgwa M, Brenner BG, Oliveira M, Moisi D, Wainberg MA.. (2007) Natural polymorphisms in the human immunodeficiency virus type 2 protease can accelerate time to development of resistance to protease inhibitors., 51 (2): [PMID:17116674] [10.1128/aac.00870-06] |
| 19. Hensen C, Hermann JC, Nam K, Ma S, Gao J, Höltje HD.. (2004) A combined QM/MM approach to protein--ligand interactions: polarization effects of the HIV-1 protease on selected high affinity inhibitors., 47 (27): [PMID:15615516] [10.1021/jm0497343] |
| 20. Ami E, Nakahara K, Sato A, Nguyen JT, Hidaka K, Hamada Y, Nakatani S, Kimura T, Hayashi Y, Kiso Y.. (2007) Synthesis and antiviral property of allophenylnorstatine-based HIV protease inhibitors incorporating D-cysteine derivatives as P2/P3 moieties., 17 (15): [PMID:17537628] [10.1016/j.bmcl.2007.05.039] |
| 21. Mimoto T, Nojima S, Terashima K, Takaku H, Shintani M, Hayashi H.. (2008) Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure., 16 (3): [PMID:17981045] [10.1016/j.bmc.2007.10.062] |
| 22. Amano M, Koh Y, Das D, Li J, Leschenko S, Wang YF, Boross PI, Weber IT, Ghosh AK, Mitsuya H.. (2007) A novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI), GRL-98065, is potent against multiple-PI-resistant human immunodeficiency virus in vitro., 51 (6): [PMID:17371811] [10.1128/aac.01413-06] |
| 23. Roche D, Greiner J, Aubertin AM, Vierling P.. (2008) Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease inhibitors., 43 (7): [PMID:17950955] [10.1016/j.ejmech.2007.08.016] |
| 24. Nakatani S, Hidaka K, Ami E, Nakahara K, Sato A, Nguyen JT, Hamada Y, Hori Y, Ohnishi N, Nagai A, Kimura T, Hayashi Y, Kiso Y.. (2008) Combination of non-natural D-amino acid derivatives and allophenylnorstatine-dimethylthioproline scaffold in HIV protease inhibitors have high efficacy in mutant HIV., 51 (10): [PMID:18426195] [10.1021/jm701555p] |
| 25. Kozísek M, Cígler P, Lepsík M, Fanfrlík J, Rezácová P, Brynda J, Pokorná J, Plesek J, Grüner B, Grantz Sasková K, Václavíková J, Král V, Konvalinka J.. (2008) Inorganic polyhedral metallacarborane inhibitors of HIV protease: a new approach to overcoming antiviral resistance., 51 (15): [PMID:18598016] [10.1021/jm8002334] |
| 26. Hazen R, Harvey R, Ferris R, Craig C, Yates P, Griffin P, Miller J, Kaldor I, Ray J, Samano V, Furfine E, Spaltenstein A, Hale M, Tung R, St Clair M, Hanlon M, Boone L.. (2007) In vitro antiviral activity of the novel, tyrosyl-based human immunodeficiency virus (HIV) type 1 protease inhibitor brecanavir (GW640385) in combination with other antiretrovirals and against a panel of protease inhibitor-resistant HIV., 51 (9): [PMID:17620375] [10.1128/aac.00401-07] |
| 27. Masse S, Lu X, Dekhtyar T, Lu L, Koev G, Gao F, Mo H, Kempf D, Bernstein B, Hanna GJ, Molla A.. (2007) In vitro selection and characterization of human immunodeficiency virus type 2 with decreased susceptibility to lopinavir., 51 (9): [PMID:17576848] [10.1128/aac.00146-07] |
| 28. Blair WS, Cao J, Jackson L, Jimenez J, Peng Q, Wu H, Isaacson J, Butler SL, Chu A, Graham J, Malfait AM, Tortorella M, Patick AK.. (2007) Identification and characterization of UK-201844, a novel inhibitor that interferes with human immunodeficiency virus type 1 gp160 processing., 51 (10): [PMID:17646410] [10.1128/aac.00643-07] |
| 29. Tong L, Phan TK, Robinson KL, Babusis D, Strab R, Bhoopathy S, Hidalgo IJ, Rhodes GR, Ray AS.. (2007) Effects of human immunodeficiency virus protease inhibitors on the intestinal absorption of tenofovir disoproxil fumarate in vitro., 51 (10): [PMID:17664327] [10.1128/aac.00671-07] |
| 30. Nguyen QC, Nguyen VH, Santarsiero BD, Mesecar AD, Nguyen MC, Soejarto DD, Pezzuto JM, Fong HH, Tan GT.. (2004) New 3-O-acyl betulinic acids from Strychnos vanprukii Craib., 67 (6): [PMID:15217281] [10.1021/np030469i] |
| 31. Dandache S, Sévigny G, Yelle J, Stranix BR, Parkin N, Schapiro JM, Wainberg MA, Wu JJ.. (2007) In vitro antiviral activity and cross-resistance profile of PL-100, a novel protease inhibitor of human immunodeficiency virus type 1., 51 (11): [PMID:17638694] [10.1128/aac.00149-07] |
| 32. Prado-Prado FJ, Martinez de la Vega O, Uriarte E, Ubeira FM, Chou KC, González-Díaz H.. (2009) Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks., 17 (2): [PMID:19112024] [10.1016/j.bmc.2008.11.075] |
| 33. Nishizawa R, Nishiyama T, Hisaichi K, Hirai K, Habashita H, Takaoka Y, Tada H, Sagawa K, Shibayama S, Maeda K, Mitsuya H, Nakai H, Fukushima D, Toda M.. (2010) Spirodiketopiperazine-based CCR5 antagonists: Improvement of their pharmacokinetic profiles., 20 (2): [PMID:20005712] [10.1016/j.bmcl.2009.11.018] |
| 34. Bonini C, Chiummiento L, De Bonis M, Di Blasio N, Funicello M, Lupattelli P, Pandolfo R, Tramutola F, Berti F.. (2010) Synthesis of new thienyl ring containing HIV-1 protease inhibitors: promising preliminary pharmacological evaluation against recombinant HIV-1 proteases., 53 (4): [PMID:20108932] [10.1021/jm900846f] |
| 35. Doak AK, Wille H, Prusiner SB, Shoichet BK.. (2010) Colloid formation by drugs in simulated intestinal fluid., 53 (10): [PMID:20426472] [10.1021/jm100254w] |
| 36. Nishizawa R, Nishiyama T, Hisaichi K, Hirai K, Habashita H, Takaoka Y, Tada H, Sagawa K, Shibayama S, Maeda K, Mitsuya H, Nakai H, Fukushima D, Toda M.. (2010) Discovery of orally available spirodiketopiperazine-based CCR5 antagonists., 18 (14): [PMID:20542438] [10.1016/j.bmc.2010.05.057] |
| 37. Lin PF, Nowicka-Sans B, Terry B, Zhang S, Wang C, Fan L, Dicker I, Gali V, Higley H, Parkin N, Tenney D, Krystal M, Colonno R.. (2008) Entecavir exhibits inhibitory activity against human immunodeficiency virus under conditions of reduced viral challenge., 52 (5): [PMID:18316521] [10.1128/aac.01313-07] |
| 38. He Z, Qin L, Chen L, Peng N, You J, Chen X.. (2008) Synergy of human immunodeficiency virus protease inhibitors with chloroquine against Plasmodium falciparum in vitro and Plasmodium chabaudi in vivo., 52 (7): [PMID:18443126] [10.1128/aac.01329-07] |
| 39. Dekhtyar T, Ng TI, Lu L, Masse S, DeGoey DA, Flosi WJ, Grampovnik DJ, Klein LL, Kempf DJ, Molla A.. (2008) Characterization of a novel human immunodeficiency virus type 1 protease inhibitor, A-790742., 52 (4): [PMID:18212102] [10.1128/aac.01132-07] |
| 40. Desbois D, Roquebert B, Peytavin G, Damond F, Collin G, Bénard A, Campa P, Matheron S, Chêne G, Brun-Vézinet F, Descamps D, French ANRS HIV-2 Cohort (ANRS CO 05 VIH-2).. (2008) In vitro phenotypic susceptibility of human immunodeficiency virus type 2 clinical isolates to protease inhibitors., 52 (4): [PMID:18227188] [10.1128/aac.01284-07] |
| 41. Engel JC, Ang KK, Chen S, Arkin MR, McKerrow JH, Doyle PS.. (2010) Image-based high-throughput drug screening targeting the intracellular stage of Trypanosoma cruzi, the agent of Chagas' disease., 54 (8): [PMID:20547819] [10.1128/aac.01777-09] |
| 42. Lisovsky I, Schader SM, Martinez-Cajas JL, Oliveira M, Moisi D, Wainberg MA.. (2010) HIV-1 protease codon 36 polymorphisms and differential development of resistance to nelfinavir, lopinavir, and atazanavir in different HIV-1 subtypes., 54 (7): [PMID:20404123] [10.1128/aac.01828-09] |
| 43. Blair WS, Cao J, Fok-Seang J, Griffin P, Isaacson J, Jackson RL, Murray E, Patick AK, Peng Q, Perros M, Pickford C, Wu H, Butler SL.. (2009) New small-molecule inhibitor class targeting human immunodeficiency virus type 1 virion maturation., 53 (12): [PMID:19805571] [10.1128/aac.00759-09] |
| 44. Tojo Y, Koh Y, Amano M, Aoki M, Das D, Kulkarni S, Anderson DD, Ghosh AK, Mitsuya H.. (2010) Novel protease inhibitors (PIs) containing macrocyclic components and 3(R),3a(S),6a(R)-bis-tetrahydrofuranylurethane that are potent against multi-PI-resistant HIV-1 variants in vitro., 54 (8): [PMID:20439612] [10.1128/aac.01766-09] |
| 45. Koh Y, Das D, Leschenko S, Nakata H, Ogata-Aoki H, Amano M, Nakayama M, Ghosh AK, Mitsuya H.. (2009) GRL-02031, a novel nonpeptidic protease inhibitor (PI) containing a stereochemically defined fused cyclopentanyltetrahydrofuran potent against multi-PI-resistant human immunodeficiency virus type 1 in vitro., 53 (3): [PMID:18955518] [10.1128/aac.00689-08] |
| 46. Yeh RF, Rezk NL, Kashuba AD, Dumond JB, Tappouni HL, Tien HC, Chen YC, Vourvahis M, Horton AL, Fiscus SA, Patterson KB.. (2009) Genital tract, cord blood, and amniotic fluid exposures of seven antiretroviral drugs during and after pregnancy in human immunodeficiency virus type 1-infected women., 53 (6): [PMID:19307360] [10.1128/aac.01523-08] |
| 47. Nishizawa R, Nishiyama T, Hisaichi K, Minamoto C, Matsunaga N, Takaoka Y, Nakai H, Jenkinson S, Kazmierski WM, Tada H, Sagawa K, Shibayama S, Fukushima D, Maeda K, Mitsuya H.. (2011) Spirodiketopiperazine-based CCR5 antagonist: discovery of an antiretroviral drug candidate., 21 (4): [PMID:21256008] [10.1016/j.bmcl.2010.12.109] |
| 48. Hombrouck A, Van Remoortel B, Michiels M, Noppe W, Christ F, Eneroth A, Sahlberg BL, Benkestock K, Vrang L, Johansson NG, Barreca ML, De Luca L, Ferro S, Chimirri A, Debyser Z, Witvrouw M.. (2008) Preclinical evaluation of 1H-benzylindole derivatives as novel human immunodeficiency virus integrase strand transfer inhibitors., 52 (8): [PMID:18541726] [10.1128/aac.00210-08] |
| 49. Young TP, Parkin NT, Stawiski E, Pilot-Matias T, Trinh R, Kempf DJ, Norton M.. (2010) Prevalence, mutation patterns, and effects on protease inhibitor susceptibility of the L76V mutation in HIV-1 protease., 54 (11): [PMID:20805393] [10.1128/aac.00906-10] |
| 50. Parry CM, Kolli M, Myers RE, Cane PA, Schiffer C, Pillay D.. (2011) Three residues in HIV-1 matrix contribute to protease inhibitor susceptibility and replication capacity., 55 (3): [PMID:21149628] [10.1128/aac.01228-10] |
| 51. 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] |
| 52. (2008) Casarett and Doull's Toxicology The Basic Science of Poisons, 7th edition, |
| 53. Fontana E, Dansette PM, Poli SM.. (2005) Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity., 6 (1): [PMID:16248836] [10.2174/138920005774330639] |
| 54. Fridén M, Winiwarter S, Jerndal G, Bengtsson O, Wan H, Bredberg U, Hammarlund-Udenaes M, Antonsson M.. (2009) Structure-brain exposure relationships in rat and human using a novel data set of unbound drug concentrations in brain interstitial and cerebrospinal fluids., 52 (20): [PMID:19764786] [10.1021/jm901036q] |
| 55. Nishizawa R, Nishiyama T, Hisaichi K, Minamoto C, Murota M, Takaoka Y, Nakai H, Tada H, Sagawa K, Shibayama S, Fukushima D, Maeda K, Mitsuya H.. (2011) Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: a highly potent orally available CCR5 selective antagonist., 19 (13): [PMID:21658961] [10.1016/j.bmc.2011.05.022] |
| 56. PubChem BioAssay data set, |
| 57. Polli JW, Wring SA, Humphreys JE, Huang L, Morgan JB, Webster LO, Serabjit-Singh CS.. (2001) Rational use of in vitro P-glycoprotein assays in drug discovery., 299 (2): [PMID:11602674] |
| 58. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, |
| 59. 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] |
| 60. Chiummiento L, Funicello M, Lupattelli P, Tramutola F, Berti F, Marino-Merlo F.. (2012) Synthesis and biological evaluation of novel small non-peptidic HIV-1 PIs: the benzothiophene ring as an effective moiety., 22 (8): [PMID:22414613] [10.1016/j.bmcl.2012.02.046] |
| 61. Domínguez JL, Gossas T, Carmen Villaverde M, Helena Danielson U, Sussman F.. (2012) Experimental and 'in silico' analysis of the effect of pH on HIV-1 protease inhibitor affinity: implications for the charge state of the protein ionogenic groups., 20 (15): [PMID:22743085] [10.1016/j.bmc.2012.05.070] |
| 62. Perloff MD, von Moltke LL, Fahey JM, Daily JP, Greenblatt DJ.. (2000) Induction of P-glycoprotein expression by HIV protease inhibitors in cell culture., 14 (1): [PMID:10894301] [10.1097/00002030-200006160-00034] |
| 63. Kim RB, Fromm MF, Wandel C, Leake B, Wood AJ, Roden DM, Wilkinson GR.. (1998) The drug transporter P-glycoprotein limits oral absorption and brain entry of HIV-1 protease inhibitors., 101 (1): [PMID:9435299] [10.1172/jci1269] |
| 64. Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J.. (2003) Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery., 46 (9): [PMID:12699389] [10.1021/jm021012t] |
| 65. Cvetkovic M, Leake B, Fromm MF, Wilkinson GR, Kim RB.. (1999) OATP and P-glycoprotein transporters mediate the cellular uptake and excretion of fexofenadine., 27 (1): [PMID:10421612] |
| 66. Choo EF, Leake B, Wandel C, Imamura H, Wood AJ, Wilkinson GR, Kim RB.. (2000) Pharmacological inhibition of P-glycoprotein transport enhances the distribution of HIV-1 protease inhibitors into brain and testes., 28 (1): [PMID:10820137] |
| 67. Gupta A, Zhang Y, Unadkat JD, Mao Q.. (2004) HIV protease inhibitors are inhibitors but not substrates of the human breast cancer resistance protein (BCRP/ABCG2)., 310 (1): [PMID:15007102] [10.1124/jpet.104.065342] |
| 68. Zhang L, Gorset W, Washington CB, Blaschke TF, Kroetz DL, Giacomini KM.. (2000) Interactions of HIV protease inhibitors with a human organic cation transporter in a mammalian expression system., 28 (1): [PMID:10681378] |
| 69. Tirona RG, Leake BF, Wolkoff AW, Kim RB.. (2003) Human organic anion transporting polypeptide-C (SLC21A6) is a major determinant of rifampin-mediated pregnane X receptor activation., 304 (1): [PMID:12490595] [10.1124/jpet.102.043026] |
| 70. Karlgren M, Vildhede A, Norinder U, Wisniewski JR, Kimoto E, Lai Y, Haglund U, Artursson P.. (2012) Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions., 55 (10): [PMID:22541068] [10.1021/jm300212s] |
| 71. Orr ST, Ripp SL, Ballard TE, Henderson JL, Scott DO, Obach RS, Sun H, Kalgutkar AS.. (2012) Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks., 55 (11): [PMID:22409598] [10.1021/jm300065h] |
| 72. Végner L, Peragovics Á, Tombor L, Jelinek B, Czobor P, Bender A, Simon Z, Málnási-Csizmadia A.. (2013) Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching., 56 (21): [PMID:24088053] [10.1021/jm400813y] |
| 73. 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] |
| 74. He G, Yang Z, Williams M, Callebaut C, Cihlar T, Murray BP, Yang C, Mitchell ML, Liu H, Wang J, Arimilli M, Eisenberg E, Stray KM, Tsai LK, Hatada M, Chen X, Chen JM, Wang Y, Lee MS, Strickley RG, Iwata Q, Zheng X, Kim CU, Swaminathan S, Desai MC, Lee WA, Xu L. (2011) Discovery of GS-8374, a potent human immunodeficiency virus type 1 protease inhibitor with a superior resistance profile, 2 (11): [10.1039/C1MD00147G] |
| 75. Mateus A, Matsson P, Artursson P.. (2014) A high-throughput cell-based method to predict the unbound drug fraction in the brain., 57 (7): [PMID:24601604] [10.1021/jm401963n] |
| 76. Kuhnert M, Steuber H, Diederich WE.. (2014) Structural basis for HTLV-1 protease inhibition by the HIV-1 protease inhibitor indinavir., 57 (14): [PMID:25006983] [10.1021/jm500402c] |
| 77. Kaiser M, Mäser P, Tadoori LP, Ioset JR, Brun R.. Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning, [10.6019/CHEMBL3392926] |
| 78. Mirams GR, Davies MR, Brough SJ, Bridgland-Taylor MH, Cui Y, Gavaghan DJ, Abi-Gerges N.. (2014) Prediction of Thorough QT study results using action potential simulations based on ion channel screens., 70 [PMID:25087753] [10.1016/j.vascn.2014.07.002] |
| 79. Lin X, Skolnik S, Chen X, Wang J.. (2011) Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model., 39 (2): [PMID:21051535] [10.1124/dmd.110.034629] |
| 80. Loi CM, Smith DA, Dalvie D.. (2013) Which metabolites circulate?, 41 (5): [PMID:23454828] [10.1124/dmd.112.050278] |
| 81. Fridén M, Bergström F, Wan H, Rehngren M, Ahlin G, Hammarlund-Udenaes M, Bredberg U.. (2011) Measurement of unbound drug exposure in brain: modeling of pH partitioning explains diverging results between the brain slice and brain homogenate methods., 39 (3): [PMID:21149540] [10.1124/dmd.110.035998] |
| 82. WHO Anatomical Therapeutic Chemical Classification, |
| 83. VanPatten S, Sun S, He M, Cheng KF, Altiti A, Papatheodorou A, Kowal C, Jeganathan V, Crawford JM, Bloom O, Volpe BT, Grant C, Meurice N, Coleman TR, Diamond B, Al-Abed Y.. (2016) Amending HIV Drugs: A Novel Small-Molecule Approach To Target Lupus Anti-DNA Antibodies., 59 (19): [PMID:27603688] [10.1021/acs.jmedchem.6b00694] |
| 84. Morgan RE, Trauner M, van Staden CJ, Lee PH, Ramachandran B, Eschenberg M, Afshari CA, Qualls CW, Lightfoot-Dunn R, Hamadeh HK.. (2010) Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development., 118 (2): [PMID:20829430] [10.1093/toxsci/kfq269] |
| 85. Aleo MD, Luo Y, Swiss R, Bonin PD, Potter DM, Will Y.. (2014) Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump., 60 (3): [PMID:24799086] [10.1002/hep.27206] |
| 86. 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] |
| 87. 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] |
| 88. Unpublished dataset, |
| 89. 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] |
| 90. Dighe SN, Ekwudu O, Dua K, Chellappan DK, Katavic PL, Collet TA.. (2019) Recent update on anti-dengue drug discovery., 176 [PMID:31128447] [10.1016/j.ejmech.2019.05.010] |
| 91. Agrawal N, Rowe J, Lan J, Yu Q, Hrycyna CA, Chmielewski J.. (2020) Potential Tools for Eradicating HIV Reservoirs in the Brain: Development of Trojan Horse Prodrugs for the Inhibition of P-Glycoprotein with Anti-HIV-1 Activity., 63 (5): [PMID:31505928] [10.1021/acs.jmedchem.9b00779] |
| 92. Ellen Van Damme. (2021) Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity, [10.6019/CHEMBL4651402] |
| 93. Ghahremanpour MM,Tirado-Rives J,Deshmukh M,Ippolito JA,Zhang CH,Cabeza de Vaca I,Liosi ME,Anderson KS,Jorgensen WL. (2020) Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2., 11 (12.0): [PMID:33324471] [10.1021/acsmedchemlett.0c00521] |
| 94. 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] |
| 95. Watanabe R, Esaki T, Ohashi R, Kuroda M, Kawashima H, Komura H, Natsume-Kitatani Y, Mizuguchi K.. (2021) Development of an In Silico Prediction Model for P-glycoprotein Efflux Potential in Brain Capillary Endothelial Cells toward the Prediction of Brain Penetration., 64 (5.0): [PMID:33619967] [10.1021/acs.jmedchem.0c02011] |
| 96. Murtuja S, Shilkar D, Sarkar B, Sinha BN, Jayaprakash V.. (2021) A short survey of dengue protease inhibitor development in the past 6 years (2015-2020) with an emphasis on similarities between DENV and SARS-CoV-2 proteases., 49 [PMID:34601454] [10.1016/j.bmc.2021.116415] |
| 97. Zattoni IF, Delabio LC, Dutra JP, Kita DH, Scheiffer G, Hembecker M, Pereira GDS, Moure VR, Valdameri G.. (2022) Targeting breast cancer resistance protein (BCRP/ABCG2): Functional inhibitors and expression modulators., 237 [PMID:35483322] [10.1016/j.ejmech.2022.114346] |
| 98. Juang YP, Chou YT, Lin RX, Ma HH, Chao TL, Jan JT, Chang SY, Liang PH.. (2022) Design, synthesis and biological evaluations of niclosamide analogues against SARS-CoV-2., 235 [PMID:35344901] [10.1016/j.ejmech.2022.114295] |
| 99. Ghosh AK, Osswald HL, Prato G.. (2016) Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS., 59 (11): [PMID:26799988] [10.1021/acs.jmedchem.5b01697] |
| 100. 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] |
