Case Study
Using Spark to Identify New Cores for PDE5 Inhibitors: Scaffold-Hopping Sildenafil
Using Spark to Identify New Cores for PDE5 Inhibitors: Scaffold-Hopping Sildenafil R. Lawrence † , S. Vadlamudi, T. Cheeseright † † Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS Abstract This case study demonstrates how Cresset’s Spark software can be used to explore the bioisosteric space of the heteroaryl scaffold of Pfizer’s Sildenafil to provide substitutions with low 2D similarity. The scaffol