- 著者
- Yutaka Maruyama Hiroshi Takano Ayori Mitsutake
- 出版者
- The Biophysical Society of Japan
- 雑誌
- Biophysics and Physicobiology (ISSN:21894779)
- 巻号頁・発行日
- vol.16, pp.407-429, 2019 (Released:2019-11-29)
- 参考文献数
- 182
- 被引用文献数
- 6
Molecular dynamics simulation is a fruitful tool for investigating the structural stability, dynamics, and functions of biopolymers at an atomic level. In recent years, simulations can be performed on time scales of the order of milliseconds using specialpurpose systems. Since the most stable structure, as well as meta-stable structures and intermediate structures, is included in trajectories in long simulations, it is necessary to develop analysis methods for extracting them from trajectories of simulations. For these structures, methods for evaluating the stabilities, including the solvent effect, are also needed. We have developed relaxation mode analysis to investigate dynamics and kinetics of simulations based on statistical mechanics. We have also applied the three-dimensional reference interaction site model theory to investigate stabilities with solvent effects. In this paper, we review the results for designing amino-acid substitution of the 10-residue peptide, chignolin, to stabilize the misfolded structure using these developed analysis methods.
- 著者
- Hiroshi MIKASHIMA Shuzo TAKEHARA Yoshito MURAMOTO Takako KHOMARU Michio TERASAWA Tetsuya TAHARA Yutaka MARUYAMA
- 出版者
- The Japanese Pharmacological Society
- 雑誌
- The Japanese Journal of Pharmacology (ISSN:00215198)
- 巻号頁・発行日
- vol.44, no.4, pp.387-391, 1987 (Released:2006-09-15)
- 参考文献数
- 13
- 被引用文献数
- 10 9
The antagonistic effect of etizolam, an anti-anxiety drug, on platelet-activating factor (PAF) was investigated in rabbit platelets in vitro. Etizolam inhibited PAF-induced aggregation in a dose-dependent manner, with an IC50 of 3.8 μM, about one tenth that of triazolam (IC50=30 μM). At 300 μM, it inhibited both ADP and arachidonic acid-induced aggregation only slightly, while the other anti-anxiety drugs tested had no effect on PAF-induced aggregation even at this concentration. Etizolam and triazolam inhibited the specific binding of 3H-PAF to PAF receptor sites on washed rabbit platelets with IC50 values of 22 nM and 320 nM, respectively. Diazepam and estazolam were inactive even at 1 μM. These results indicate that etizolam is a specific antagonist of PAF.