YAKUGAKU ZASSHI
Online ISSN : 1347-5231
Print ISSN : 0031-6903
誌上シンポジウム
量子創薬
─論理的形態制御学の原理─
桑田 一夫
著者情報
ジャーナル フリー

2012 年 132 巻 8 号 p. 873-879

詳細
抄録

  We developed a theoretical framework for the regulation of biological macromolecules using the logically designed compounds. According to the cohomology theory, algebraic objects can be translated into geometrical ones. Successfully established quantum theory at 20th century, which essentially deals with the non-commutative nature of the space, also suggests the non-commutative topology of biological space. Arithmetic geometrical representation of the molecules as well as the macroscopic membranous structures would uncover their structural groups in Hilbert space. In order to construct the concrete image of biological space, here we combined quantum chemical (QC) model, all-atom (AA) model and coarse grained (CG) model, into one program designated ‘NAGARA’. These three models can be arranged in an arbitrary manner to yield the desired statistical ensemble. For example, QC model was applied to the optimization of the chemical structure of anti-prion lead compound GN8. Arithmetic geometrical representation of these algebraic models is in progress.

著者関連情報
© 2012 by the PHARMACEUTICAL SOCIETY OF JAPAN
前の記事 次の記事
feedback
Top