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Items: 1 to 20 of 398

1.

Compounds binding to the S2-S3 pockets of thrombin.

Nilsson M, Hämäläinen M, Ivarsson M, Gottfries J, Xue Y, Hansson S, Isaksson R, Fex T.

J Med Chem. 2009 May 14;52(9):2708-15. doi: 10.1021/jm8011849.

PMID:
19371038
2.

Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches.

Bhunia SS, Roy KK, Saxena AK.

J Chem Inf Model. 2011 Aug 22;51(8):1966-85. doi: 10.1021/ci200185q. Epub 2011 Aug 1.

PMID:
21761917
3.

A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.

Katz BA, Elrod K, Luong C, Rice MJ, Mackman RL, Sprengeler PA, Spencer J, Hataye J, Janc J, Link J, Litvak J, Rai R, Rice K, Sideris S, Verner E, Young W.

J Mol Biol. 2001 Apr 13;307(5):1451-86.

PMID:
11292354
4.

Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

Muley L, Baum B, Smolinski M, Freindorf M, Heine A, Klebe G, Hangauer DG.

J Med Chem. 2010 Mar 11;53(5):2126-35. doi: 10.1021/jm9016416.

PMID:
20148533
5.

Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.

Katz BA, Elrod K, Verner E, Mackman RL, Luong C, Shrader WD, Sendzik M, Spencer JR, Sprengeler PA, Kolesnikov A, Tai VW, Hui HC, Breitenbucher JG, Allen D, Janc JW.

J Mol Biol. 2003 May 23;329(1):93-120.

PMID:
12742021
6.

Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.

Baum B, Muley L, Heine A, Smolinski M, Hangauer D, Klebe G.

J Mol Biol. 2009 Aug 21;391(3):552-64. doi: 10.1016/j.jmb.2009.06.016. Epub 2009 Jun 9.

PMID:
19520086
7.

Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.

De Simone G, Menchise V, Omaggio S, Pedone C, Scozzafava A, Supuran CT.

Biochemistry. 2003 Aug 5;42(30):9013-21.

PMID:
12885234
8.

Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold.

Blomberg D, Fex T, Xue Y, Brickmann K, Kihlberg J.

Org Biomol Chem. 2007 Aug 21;5(16):2599-605.

PMID:
18019535
9.

Design, parallel synthesis, and crystal structures of pyrazinone antithrombotics as selective inhibitors of the tissue factor VIIa complex.

Parlow JJ, Case BL, Dice TA, Fenton RL, Hayes MJ, Jones DE, Neumann WL, Wood RS, Lachance RM, Girard TJ, Nicholson NS, Clare M, Stegeman RA, Stevens AM, Stallings WC, Kurumbail RG, South MS.

J Med Chem. 2003 Sep 11;46(19):4050-62.

PMID:
12954058
10.
11.

Design, synthesis and biological evaluation of selective boron-containing thrombin inhibitors.

Wienand A, Ehrhardt C, Metternich R, Tapparelli C.

Bioorg Med Chem. 1999 Jul;7(7):1295-307.

PMID:
10465405
12.

Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.

Jhoti H, Cleasby A, Reid S, Thomas PJ, Weir M, Wonacott A.

Biochemistry. 1999 Jun 22;38(25):7969-77.

PMID:
10387040
13.

Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.

Dullweber F, Stubbs MT, Musil D, Stürzebecher J, Klebe G.

J Mol Biol. 2001 Oct 26;313(3):593-614.

PMID:
11676542
14.

Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.

Krishnan R, Mochalkin I, Arni R, Tulinsky A.

Acta Crystallogr D Biol Crystallogr. 2000 Mar;56(Pt 3):294-303.

PMID:
10713516
15.

Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.

Malikayil JA, Burkhart JP, Schreuder HA, Broersma RJ Jr, Tardif C, Kutcher LW 3rd, Mehdi S, Schatzman GL, Neises B, Peet NP.

Biochemistry. 1997 Feb 4;36(5):1034-40.

PMID:
9033393
17.

S1 subsite in snake venom thrombin-like enzymes: can S1 subsite lipophilicity be used to sort binding affinities of trypsin-like enzymes to small-molecule inhibitors?

Silva FP Jr, De-Simone SG.

Bioorg Med Chem. 2004 May 15;12(10):2571-87. Erratum in: Bioorg Med Chem. 2004 Jul 1;12(13):3755.

PMID:
15110839
18.

Design, synthesis and biological activity of novel rigid amidino-phenylalanine derivatives as inhibitors of thrombin.

Mack H, Pfeiffer T, Hornberger W, Böhm HJ, Höffken HW.

J Enzyme Inhib. 1995;9(1):73-86.

PMID:
8568568
19.
20.

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