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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