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Table 5 Docking score, binding energy and interacting amino acids of selected compound

From: Docking predictions based Plasmodium falciparum phosphoethanolamine methyl transferase inhibitor identification and in-vitro antimalarial activity analysis

S. no. Zinc id Dock score Binding energy Interacting amino acids form (pCholine binding site)
1 ZINC08792082 82.3 − 98.2 Ser 38, Asp 128, Tyr 160, Lys 247, Ile 36, Ser 37, Gly 63
2 ZINC02120366 79.67 − 102.3 Ala 129, Tyr 160, Lys 247, Ile 36, Ser 37, Ile 111
3 ZINC08792474 89.67 − 98.4 Tyr 19, Asp 128, Gly 63, Asp 85
4 ZINC12882412 108.80 − 103.5 Tyr 19, Ile 86, Ala 129, Tyr 160, Tyr 181, Ser 37, Asp 85
5 ZINC02103914 98.51 − 110.9 Asp 10, Tyr 19, Asp 128, Asn137, Ile 36, Asp 85, His 132