https://www.selleckchem.com/products/ml351.html SARS-CoV-2, or severe acute respiratory syndrome coronavirus 2, represents a new strain of Coronaviridae. In the closing 2019 to early 2020 months, the virus caused a global pandemic of COVID-19 disease. We performed a virtual screening study in order to identify potential inhibitors of the SARS-CoV-2 main viral protease (3CLpro or Mpro). For this purpose, we developed a novel approach using ensemble docking high-throughput virtual screening directly coupled with subsequent Linear Interaction Energy (LIE) calculations to maximize the conformational space sampling and to assess the binding affinity of identified inhibitors. A large database of small commercial compounds was prepared, and top-scoring hits were identified with two compounds singled out, namely 1-[(R)-2-(1,3-benzimidazol-2-yl)-1-pyrrolidinyl]-2-(4-methyl-1,4-diazepan-1-yl)-1-ethanone and [((S)-1-[(1H-indol-2-yl)methyl]-3-pyrrolidinylmethyl)amino](5-methyl-2H-pyrazol-3-yl)formaldehyde. Moreover, we obtained a favorable binding free energy of the identified compounds, and using contact analysis we confirmed their stable binding modes in the 3CLpro active site. These compounds will facilitate further 3CLpro inhibitor design.The elderly need the assistance of walking aids due to deterioration of their physical functions. However, they are often less willing to use these aids because of their worries about how others may think of them. Not using professional walking aids often makes elderly people fall easily when walking. This study explores the behavioral intention factors of middle-aged people (45-64 years old) and elderly people (65 years and older) that affect the use of walking aids. Based on the Theory of Reasoned Action (TRA), subjective norms, attitude toward usage, behavior intention, safety, and usefulness were combined with social image to establish the research framework. This study used questionnaire surveys both in paper form assisted by voluntee