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Table 2 Table depicting different conformational changes of the loops

From: Ginger (Zingiber officinale) phytochemicals—gingerenone-A and shogaol inhibit SaHPPK: molecular docking, molecular dynamics simulations and in vitro approaches

Compound name

Loop 1

Loop 2

Loop 3

Inhibitor

Semi closed

Closed

Closed

6-Dehydrogingerdione

Semi closed

Closed

Closed

Gingerol

Semi closed

Closed

Closed

Zingerone

Semi closed

Closed

Closed

Amoxicillin

Semi closed

Closed

Semi-closed

Shogaol

Semi closed

Closed

Closed

Gingerenone-A

Semi closed

Closed

Closed

Paradol

Semi closed

Closed

Closed

Trans-1,8-cineole-3,6-dihydroxy-3-O-β-d-glucopyranoside

Semi closed

Closed

Closed

Trans-3-hydroxy-1,8-cineole-O-β-d-glucopyranoside

Semi closed

Closed

Closed