Conspectus In structure-based drug design, scoring functions are widely used for fast
evaluation of protein–ligand interactions. They are often applied in combination with …

Introduction: With the emergence of the 'big data'era, the biomedical research community
has great interest in exploiting publicly available chemical information for drug discovery …

Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a key chemical information
resource for the biomedical research community. Substantial improvements were made in …

Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a public chemical database at the
US National Institutes of Health. Visited by millions of users every month, it plays a role as a …

Alzheimer's disease (AD) is a growing concern in modern society, and effective drugs for its
treatment are lacking. Uncaria rhynchophylla (UR) and its main alkaloids have been studied …

CNS disorders are indications with a very high unmet medical needs, relatively smaller
number of available drugs, and a subpar satisfaction level among patients and caregiver …

Alzheimer's disease (AD) is the most common cause of neurodegenerative dementia and
one of the top medical concerns worldwide. Currently, the approved drugs to treat AD are …

PubChem is a chemical data repository that provides comprehensive information on various
chemical entities. It contains a wealth of chemical information from hundreds of data …

Presently, the treatment options for ischemic stroke (IS) are limited due to the complicated
pathological process of the disease. Chuanxiong Rhizome (CR), also known as …

Presently, there is a lack of effective disease-modifying drugs for the treatment of Alzheimer's
disease (AD). Uncaria rhynchophylla (UR) and its predominant active phytochemicals …