Literature DB >> 28197309

Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.

Zhe Li1, James Partridge1, Abel Silva-Garcia1, Peter Rademacher1, Andreas Betz1, Qing Xu1, Hing Sham1, Yunjin Hu2, Yuqing Shan2, Bin Liu2, Ying Zhang2, Haijuan Shi2, Qiong Xu2, Xubo Ma2, Li Zhang2.   

Abstract

A series of macrocyclic analogues were designed and synthesized based on the cocrystal structure of small molecule plasma kallikrein (pKal) inhibitor, 2, with the pKal protease domain. This led to the discovery of a potent macrocyclic pKal inhibitor 29, with an IC50 of 2 nM for one olefinic isomer and 42.3 nM for the other olefinic isomer.

Entities:  

Keywords:  Hereditary angioedema; macrocycle; plasma kallikrein; protease inhibitor; structure-based design

Year:  2016        PMID： 28197309      PMCID： PMC5304296          DOI： 10.1021/acsmedchemlett.6b00384

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  11 in total

1.  Synthesis and activity of a new generation of ruthenium-based olefin metathesis catalysts coordinated with 1,3-dimesityl-4,5-dihydroimidazol-2-ylidene ligands.

Authors:  M Scholl; S Ding; C W Lee; R H Grubbs
Journal:  Org Lett       Date:  1999-09-23       Impact factor: 6.005

Review 2.  The plasma contact system 2.0.

Authors:  Coen Maas; Chris Oschatz; Thomas Renné
Journal:  Semin Thromb Hemost       Date:  2011-07-30       Impact factor: 4.180

3.  A phase 1 study investigating DX-2930 in healthy subjects.

Authors:  Yung Chyung; Bradley Vince; Ryan Iarrobino; Dan Sexton; Jon Kenniston; Ryan Faucette; Chris TenHoor; Leslie E Stolz; Chris Stevens; Joseph Biedenkapp; Burt Adelman
Journal:  Ann Allergy Asthma Immunol       Date:  2014-06-26       Impact factor: 6.347

4.  Conformationally Restricted GABA with Bicyclo[3.1.0]hexane Backbone as the First Highly Selective BGT-1 Inhibitor.

Authors:  Takaaki Kobayashi; Akihiro Suemasa; Arisa Igawa; Soichiro Ide; Hayato Fukuda; Hiroshi Abe; Mitsuhiro Arisawa; Masabumi Minami; Satoshi Shuto
Journal:  ACS Med Chem Lett       Date:  2014-06-16       Impact factor: 4.345

5.  Prophylaxis of hereditary angioedema attacks: A randomized trial of oral plasma kallikrein inhibition with avoralstat.

Authors:  Emel Aygören-Pürsün; Markus Magerl; Jochen Graff; Inmaculada Martinez-Saguer; Wolfhart Kreuz; Hilary Longhurst; Iman Nasr; Murat Bas; Ulrich Straßen; Lei Fang; Melanie Cornpropst; Sylvia Dobo; Phil Collis; William P Sheridan; Marcus Maurer
Journal:  J Allergy Clin Immunol       Date:  2016-05-11       Impact factor: 10.793

Review 6.  Hereditary angioedema: current and emerging treatment options.

Authors:  Jerrold H Levy; Douglas J Freiberger; John Roback
Journal:  Anesth Analg       Date:  2010-05-01       Impact factor: 5.108

7.  Critical role of kallikrein in hereditary angioedema pathogenesis: a clinical trial of ecallantide, a novel kallikrein inhibitor.

Authors:  Lynda Schneider; William Lumry; Arthur Vegh; Anthony H Williams; Tess Schmalbach
Journal:  J Allergy Clin Immunol       Date:  2007-06-07       Impact factor: 10.793

Review 8.  Human plasma kallikrein-kinin system: physiological and biochemical parameters.

Authors:  J W Bryant; Z Shariat-Madar
Journal:  Cardiovasc Hematol Agents Med Chem       Date:  2009-07

9.  Conformational restriction of angiotensin II: cyclic analogues having high potency.

Authors:  K L Spear; M S Brown; E J Reinhard; E G McMahon; G M Olins; M A Palomo; D R Patton
Journal:  J Med Chem       Date:  1990-07       Impact factor: 7.446

10.  Bradykinin and the pathogenesis of hereditary angioedema.

Authors:  Allen P Kaplan
Journal:  World Allergy Organ J       Date:  2011-04       Impact factor: 4.084
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  3 in total

1.  Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies.

Authors:  Abdulrahim A Alzain; Fatima A Elbadwi; Fatima O Alsamani
Journal:  Inform Med Unlocked       Date:  2022-02-02

Review 2.  Serine Protease Inhibitors to Treat Lung Inflammatory Diseases.

Authors:  Chahrazade El Amri
Journal:  Adv Exp Med Biol       Date:  2021       Impact factor: 2.622

3.  Structural insights and inhibition mechanism of TMPRSS2 by experimentally known inhibitors Camostat mesylate, Nafamostat and Bromhexine hydrochloride to control SARS-Coronavirus-2: A molecular modeling approach.

Authors:  Kailas D Sonawane; Sagar S Barale; Maruti J Dhanavade; Shailesh R Waghmare; Naiem H Nadaf; Subodh A Kamble; Ali Abdulmawjood Mohammed; Asiya M Makandar; Prayagraj M Fandilolu; Ambika S Dound; Nitin M Naik; Vikramsinh B More
Journal:  Inform Med Unlocked       Date:  2021-05-26
  3 in total

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