Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs

Luginina, Aleksandra; Gusach, Anastasiia; Marin, Egor; Mishin, Alexey; Brouillette, Rebecca; Popov, Petr; Shiriaeva, Anna; Besserer-Offroy, Élie; Longpré, Jean -Michel; Lyapina, Elizaveta; Ishchenko, Andrii; Patel, Nilkanth; Polovinkin, Vitaly; Safronova, Nadezhda; Bogorodskiy, Andrey; Edelweiss, Evelina; Hu, Hao; Weierstall, Uwe; Liu, Wei; Batyuk, Alexander; Gordeliy, Valentin; Han, Gye Won; Sarret, Philippe; Katritch, Vsevolod; Borshchevskiy, Valentin; Cherezov, Vadim

doi:10.1126/sciadv.aax2518

Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs

Journal Article · Wed Oct 09 00:00:00 EDT 2019 · Science Advances

DOI:https://doi.org/10.1126/sciadv.aax2518· OSTI ID:1577320

^[1]; ^[1]; ^[1]; ^[1]; ^[2]; Popov, Petr ^[3]; Shiriaeva, Anna ^[4]; ^[2]; ^[2]; ^[1]; Ishchenko, Andrii ^[5]; ^[4]; ^[6]; ^[1]; Bogorodskiy, Andrey ^[1]; Edelweiss, Evelina ^[7]; ^[8]; ^[8]; Liu, Wei ^[8]; ^[9] more »

Moscow Inst. of Physics and Technology, Dolgoprudny (Russia)
Univ. de Sherbrooke, Quebec (Canada)
Moscow Inst. of Physics and Technology, Dolgoprudny (Russia); Skolkovo Inst. of Science and Technology, Moscow (Russia)
Univ. of Southern California, Los Angeles, CA (United States)
Univ. of Southern California, Los Angeles, CA (United States); Merck Research Labs, West Point, PA (United States)
Inst. of Complex Systems, Juelich (Germany); Univ. Grenoble Alpes-CEA-CNRS, Grenoble (France); Czech Academy of Sciences, Prague (Czech Republic)
Univ. Grenoble Alpes-CEA-CNRS, Grenoble (France)
Arizona State Univ., Tempe, AZ (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Moscow Inst. of Physics and Technology, Dolgoprudny (Russia); Inst. of Complex Systems, Juelich (Germany); Univ. Grenoble Alpes-CEA-CNRS, Grenoble (France); Juelich Center for Structural Biology, Juelich (Germany); RWTH Aachen Univ., Aachen (Germany)
Univ. of Southern California, Los Angeles, CA (United States). Center for Energy Nanoscience and Technology
Moscow Inst. of Physics and Technology, Dolgoprudny (Russia); Inst. of Complex Systems, Juelich (Germany); Juelich Center for Structural Biology, Juelich (Germany)
Moscow Inst. of Physics and Technology, Dolgoprudny (Russia); Univ. of Southern California, Los Angeles, CA (United States)

The G protein–coupled cysteinyl leukotriene receptor CysLT₁R mediates inflammatory processes and plays a major role in numerous disorders, including asthma, allergic rhinitis, cardiovascular disease, and cancer. Selective CysLT₁R antagonists are widely prescribed as antiasthmatic drugs; however, these drugs demonstrate low effectiveness in some patients and exhibit a variety of side effects. To gain deeper understanding into the functional mechanisms of CysLTRs, we determined the crystal structures of CysLT₁R bound to two chemically distinct antagonists, zafirlukast and pranlukast. The structures reveal unique ligand-binding modes and signaling mechanisms, including lateral ligand access to the orthosteric pocket between transmembrane helices TM4 and TM5, an atypical pattern of microswitches, and a distinct four-residue–coordinated sodium site. These results provide important insights and structural templates for rational discovery of safer and more effective drugs.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1577320

Journal Information:: Science Advances, Journal Name: Science Advances Journal Issue: 10 Vol. 5; ISSN 2375-2548

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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