. 2025 May 5;86(3):e70099. doi: 10.1002/ddr.70099

TABLE 4.

Docking results for CAPE (1), OB‐CAPE (5), and Zileuton (3).

Compound	Binding energy (BE) (kcal/mol)	π‐π interactions^a	H‐Bonds (Laskowski et Swindells ²⁰¹¹)
CAPE (1)	–8.8	His372	Leu420
OB‐CAPE (5)	–9.6	His372	Gln363
R‐Zil (3)	–6.7	Phe421	Leu420 x 2, Asn425
S‐Zil (3)	–6.5	‐‐‐	Leu420 x 2, Ala424, Phe421

^{^a}

Schrödinger Release 2019‐2: Maestro, Schrödinger; LLC: New York, NY, USA, 2020.