Structure-activity study on antiulcer agents using Wiener's topological index and molecular connectivity index.
The relationship of Wiener's topological index and molecular connectivity index with antiulcer activity of a series of 4-substituted-2-guanidino thiazole analogs has been investigated. The values of Wiener's topological index and molecular connectivity index of 128 compounds were computed and active ranges were identified. The activity assigned to each analog using these topological descriptors was subsequently compared with the reported in vitro and in vivo activities against gastric hydrogen-potassium stimulated adenosine triphosphatase (H+K(+)-ATPase) enzyme. Predictions with an accuracy of the order of approximately 89% were observed with regard to in vivo activity using these topological indices.
Goel
A
A
College of Pharmacy, Pushp Vihar, New Delhi, India.
Madan
A K
AK
D000818:Animals; D000897:Anti-Ulcer Agents / Q000737:chemistry* / Q000494:pharmacology*; D017076:Computer-Aided Design; D015195:Drug Design; D005753:Gastric Mucosa / Q000187:drug effects / Q000201:enzymology; D006801:Humans; D066298:In Vitro Techniques; D008954:Models, Biological; D008956:Models, Chemical; D054328:Proton Pump Inhibitors; D013276:Stomach Ulcer / Q000188:drug therapy / Q000201:enzymology; D013329:Structure-Activity Relationship
D000897:Anti-Ulcer Agents; D054328:Proton Pump Inhibitors