9BJM

Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein

これはPDB形式変換不可エントリーです。

9BJM の概要

• エントリーDOI: 10.2210/pdb9bjm/pdb
• 分子名称: Prefusion RSV F (DS-CAV1),Envelope glycoprotein, 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one (3 entities in total)
• 機能のキーワード: inhibitor, viral protein, complex, viral protein-inhibitor complex, viral protein/inhibitor
• 由来する生物種: human respiratory syncytial virus; 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 63745.30

構造登録者

Shaffer, P.L.,Milligan, C.,Abeywickrema, P. (登録日: 2024-04-25, 公開日: 2024-07-10, 最終更新日: 2024-11-20)

主引用文献

Kesteleyn, B.,Herschke, F.,Darville, N.,Stoops, B.,Jacobs, T.,Jacoby, E.,Shaffer, P.,Lammens, L.,Van Rompaey, D.,Matcha, K.,Martinez Lamenca, C.,Coesemans, E.,Hache, G.,Pieters, S.,Lecomte, M.,Hu, L.,Demin, S.,Milligan, C.,Abeywickrema, P.,De Bruyn, S.,Van Den Berg, J.,Ysebaert, N.,De Zwart, L.,Najera, I.,Rigaux, P.,Roymans, D.,Jonckers, T.H.M.
Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 67:10986-11002, 2024

PubMed Abstract: Respiratory syncytial virus (RSV) is a major cause of hospitalization in infants, the elderly, and immune-compromised patients. While a half-life extended monoclonal antibody and 2 vaccines have recently been approved for infants and the elderly, respectively, options to prevent disease in immune-compromised patients are still needed. Here, we describe spiro-azetidine oxindoles as small molecule RSV entry inhibitors displaying favorable potency, developability attributes, and long-acting PK when injected as an aqueous suspension, suggesting their potential to prevent complications following RSV infection over a period of 3 to 6 months with 1 or 2 long-acting intramuscular (IM) or subcutaneous (SC) injections in these immune-compromised patients.

PubMed: 38932487
DOI: 10.1021/acs.jmedchem.4c00514

実験手法

X-RAY DIFFRACTION (2.07 Å)