Your browser doesn't support javascript.
loading
Rapid discovery of tyrosinase inhibitors from Sophora flavescens:significance for comprehensive utilization of its non-medicinal resources / 中国中药杂志
China Journal of Chinese Materia Medica ; (24): 2889-2899, 2021.
Article in Chinese | WPRIM | ID: wpr-888058
ABSTRACT
Sophorae Flavescentis Radix,derived from the root of Sophora flavescens in the Leguminosae family,has been widely used in the medicine,agriculture,animal husbandry,and daily chemical industry. A pharmacophore model-based method for rapid discovery of tyrosinase inhibitors( TIs) from S. flavescens was established by molecular docking under Lipinski rules,and verified by enzyme assays. Briefly,the chemical constituent database of S. flavescens( CDSF) was established based on the previous papers. Theoptimal pharmacophore model( OPM) was constructed by DS 2019 on the basis of known active TIs. Eighty-three hits predominated by flavonoids having higher fitting scores with OPM than the positive control were screened out,and subjected to molecular docking based on the three-dimensional structure of tyrosinase crystal protein. The potential TIs such as kurarinone and nor-kurarinone were rapidly discovered from the compounds with higher docking scores than the positive control under the Lipinski rules. The results were verified by the in vitro enzyme assays. The inhibition activities of tyrosinase from non-medicinal parts of S. flavescens were also tested to explore the relationship between the inhibition activity and chemical compositions. This study is expected to provide data support for the comprehensive application and development of S. flavescens and also a new method for the rapid discovery of active substances or functional constituents in the complex systems.
Subject(s)

Full text: Available Index: WPRIM (Western Pacific) Main subject: Flavonoids / Plant Extracts / Monophenol Monooxygenase / Plant Roots / Sophora / Molecular Docking Simulation Type of study: Prognostic study Limits: Animals Language: Chinese Journal: China Journal of Chinese Materia Medica Year: 2021 Type: Article

Similar

MEDLINE

...
LILACS

LIS

Full text: Available Index: WPRIM (Western Pacific) Main subject: Flavonoids / Plant Extracts / Monophenol Monooxygenase / Plant Roots / Sophora / Molecular Docking Simulation Type of study: Prognostic study Limits: Animals Language: Chinese Journal: China Journal of Chinese Materia Medica Year: 2021 Type: Article