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Table 1 Compound screening from Pedalium murex L

From: In silico screening and molecular docking study of compounds from Pedalium murex L. with Vasopressin2 receptor target for Autosomal Dominant Polycystic Kidney Disease

S. nos.

Plant part

Name of the compound

Binding energy

Pub-Chem-ID

1

Leaves

Diosmetin

− 8.6

CID = 5281612

2

Fruits

Luteolin

− 8.5

CID = 5280445

3

Leaves and flowers

Hispidulin

− 8.2

CID = 5281628

4

Fruits

Caffeic acid

− 8.0

CID = 750

5

Flower

Quercetin

− 7.7

CID = 5280343

6

Stem

Saponins

− 7.6

CID = 6540709

7

Leaves

Vanillic acid

− 5.8

CID = 8468

  1. Seven compounds with binding energies between − 8.6 and − 5.8 kcal/mol have been shortlisted on the docking-based screening using PyRx software