Accurate methods to predict the binding affinities of compounds for target molecules are powerful tools in structure-based drug design (SBDD). A recently developed method called massively parallel computation of absolute binding free energy with a well-equilibrated system (MP-CAFEE) successfully pre
The eradication of leprosy: molecular modeling techniques for novel drug discovery.
Anusuya S, Natarajan J.SourceV.M.K.V. Engineering College, Department of Bioinformatics , Salem 636308, Tamil Nadu , India.
Expert opinion on drug discovery.Expert Opin Drug Discov.2013 Oct;8(10):1239-51. doi: 10.1517/17460441.2013.826188. Epub 2013 Aug 7.
Introduction: Leprosy is a slowly progressing bacterial infection caused by Mycobacterium leprae. The World Health Organization recommended multidrug therapy (MDT) which is extremely effective and halts the progress of the disease. Even though the objective of eliminating leprosy as a public health
Molecular modeling of vasopressin receptor and in silico screening of V1b receptor antagonists.
Hagiwara Y, Ohno K, Kamohara M, Takasaki J, Watanabe T, Fukunishi Y, Nakamura H, Orita M.SourceDrug Discovery Research, Astellas Pharma, Inc., 21, Miyukigaoka, Ibaraki 305-8585, Japan. masaya.orita@jp.astellas.com
Expert opinion on drug discovery.Expert Opin Drug Discov.2013 Aug;8(8):951-64. doi: 10.1517/17460441.2013.799134. Epub 2013 May 17.
INTRODUCTION: G protein-coupled receptors (GPCRs) are integral membrane proteins which contain seven-transmembrane-spanning alpha-helices. GPCR-mediated signaling has been associated with various human diseases, positioning GPCRs as attractive targets in the drug discovery field. Recently, through a
株式会社ファルマデザインは、バイオインフォマティクスとドラッグデザインを融合させたインシリコ創薬を推進するバイオベンチャーです ... SBDD (Structure-Based Drug Design) SBDDとは、Structure-Based Drug Designの略で、タンパク質の ...