A Drug Design Based on the Three-Dimensional Structure.
Tadashi Hata · Nihon Kessho Gakkaishi · 1993
The three-dimensional arrangement of biologically essential functionality has been called a topographical pharmacophoric pattern. The 2-D matrix comprised of the interatomic distances of the pharmacophoric pattern reflects the 3-D arrangement of the pattern. The geometrical matching system utilizing this 2-D matrix instead of the 3-D structure has been established to save the computation time. Application of the system to the study of angiotensin-converting enzyme inhibitor and anti-inflammatory drug in Cambrige crystal data base are summarized.