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Table 5 Docking scores and interactions of compounds against PARP10 (PDB ID: 5LX6)

From: Synthesis, molecular docking, and cytotoxicity of quinazolinone and dihydroquinazolinone derivatives as cytotoxic agents

Compound

ChemScore

Interactions with key residue

5a

33.37

Ala911, Val913, Tyr914, Tyr919, Ala921, Leu926, Tyr932, Ile987

5d

28.34

His887, Ala911, Tyr919, Ala921

10f

36.96

His887, Ala911, Val913, Tyr914, Val918, Leu926, Tyr932, Ile987

Veliparib

37.89

Gly888, Tyr919, Ala921, Leu926, Ser927, Tyr932, Ile987

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BMC Chemistry

ISSN: 2661-801X

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