Table 2. H-bond and hydrophobic interactions of selected phytochemicals when docked against BACE1 protein.

Compound ID	H bond	Hydrophobic interaction
CMNPD12563	Ser10, Thr232	Gly11, Gln12, Gly13, Leu30, Asp32, Gly39, Tyr71, Thr72, Gln73, Trp115, Ile118, Asp228, Gly230, Thr231
CMNPD27101	--	Gly11, Gln12, Gly13, Leu30, Asp32, Gly34, Pro70, Tyr71, Thr72, Gln73, Ile110, Trp115, Ile118, Tyr198, Ile226, Thr231, Asp228, Gly230
CMNPD24319	Thr72, Thr232, Arg235	Leu30, Tyr71, Gln73, Lys107, Phe108, Ile110, Trp115, Ile118, Gly230, Thr231, Asn233, Val332
CMNPD2641	Gln73, Asp228, Thr231	Tyr71, Thr72, Lys107, Phe108, Ile110, Trp115, Gly230
CMNPD8860	Thr72, Gln73,	Lys10, Thr23, Leu30, Asp32, Gly34, Tyr71, Phe108, Trp115, Ile118, Gly230,
CMNPD11810	Gln73, Asp228, Thr231	Leu30, Tyr71, Thr72, Gly74, Lys107, Phe108, Trp115, Ile118, Gly230
CMNPD15658	Thr72, Asp228, Thr231	Leu30, Asp32, Tyr71, Gln73, Phe108, Ile110, Trp115, Ile118
Atabecestat (JNJ5486191)	Thr72, Phe108, Asp228,	Asp32, Gln73, Tyr71, Lys107, Ile118, Tyr198, Lys224, Ile226, Gly230, Thr329, Val332