Yukio Tominaga

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Angiotensin II (Ang II) type 1 (AT₁) receptor blockers (ARBs) induce multiple pharmacological beneficial effects, but not all ARBs have the same effects and the molecular mechanisms underlying their actions are not certain. In this study, irbesartan and losartan were examined because of their different molecular structures (irbesartan has a cyclopentyl(More)
Ligand efficiency is frequently used to evaluate fragment compounds in fragment-based drug discovery. We applied ligand efficiency indices in a conventional virtual screening-initiated lead generation study of soluble epoxide hydrolase inhibitors. From a considerable number of screening hits, we carefully selected a compound exhibiting relatively weak(More)
Monte Carlo statistical mechanics simulations were used in combination with the extended linear response (ELR) approach to develop a model to predict the activities of kinase inhibitors. One hundred forty eight inhibitors of three protein kinases, cyclin-dependent kinase 2 (CDK2), lymphocyte-specific kinase (Lck), and p38 mitogen-activated protein kinase(More)
The structure of the flower micelle formed by an amphiphilic random copolymer, sodium (2-acrylamido)-2-methylpropanesulfonate and N-dodecylmethacrylamide p(AMPS/C12), in 0.05 M aqueous NaCl was investigated by fully atomistic molecular dynamics simulation as well as by light scattering, and the results were compared with the flower micelle model of the(More)
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