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Table 3 Molecular docking of toxic active compounds to CHRM1-encoded proteins

From: Network toxicology and molecular docking analyses on strychnine indicate CHRM1 is a potential neurotoxic target

Compounds

Targets

Affinity (kcal/mol)

PDB ID

H-bond

Box size (x,y,z)

(S)-Stylopine

CHRM1

−8.5

6WJC

1

(40,40,40)

Isobrucine

CHRM1

−7.8

6WJC

1

(40,40,40)

Stigmasterol

CHRM1

−8.2

6WJC

1

(40,40,40)

Co-crystal ligand 1

CHRM1

−7.5

6WJC

0

(40,40,40)

Co-crystal ligand 2

CHRM1

−7.1

6WJC

0

(40,40,40)

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BMC Complementary Medicine and Therapies

ISSN: 2662-7671

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