Jerome M. Schulman

Learn More
A theoretical model is used to deduce the pharmacologically active conformation of acetylcholine and other agonists interacting with the muscarinic receptor of the parasympathetic and central nervous systems. This is accomplished by replacing the usual dihedral angles tau 1 and tau 2, which define the conformations of cholinergic drugs, with two new(More)
The conformational potential energy surface of the muscarinic agonist pilocarpine is studied by molecular mechanics (MMP2) and by semiempirical (AM1) and ab initio self-consistent-field (SCF) calculations. Six minima were located, two of which correspond to the known X-ray structures of pilocarpine. Possible active conformations of pilocarpine are inferred(More)
  • 1