Pharmacokinetics is the study of how a chemical substance is absorbed, distributed, metabolised, and excreted in a biological system over time. Based our previous finding the natural flavonoid compounds (Dorsmanin F, Morusin, Norartocarpin, Pectolinarin, and Quercetin) have good binging interaction with the nuclear factor erythroid 2-related factor 2 (Nrf2) with specific protein of 5FNR and it may be considered as effective antioxidant compounds. To assess the effects of these molecules, more Pharmacokinetics properties are required. As a result, the goal of this work was to look at the in silico pharmacokinetic aspects of natural flavonoid molecules in order to design a new antioxidant medicine. For this study, the structure of ligand (Dorsmanin F, Morusin, Norartocarpin, Pectolinarin, and Quercetin) was obtained from pubchem database and the pharmacokinetic assessment (ADMET) was performed using pkCSM software. The results of present study the flavonoid compound of Morusin have suggest it may be turned into a novel drug against free radical scavenger for the treatment of oxidative stress.
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7 August 2023
INTERNATIONAL CONFERENCE ON MINERALS, MATERIALS AND MANUFACTURING METHODS (ICMMMM)
19 March 2022
Coimbatore, India
Research Article|
August 07 2023
In silico pharmacokinetics (ADMET) properties of selective natural flavonoid compounds - A prospect for the development of novel antioxidant drug
S. Komathi;
S. Komathi
a)
Department of Chemistry, AMET University
, Chennai, Chennai-603112, India
a)Corresponding author: [email protected]
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T. R. Heera
T. R. Heera
b)
Department of Chemistry, AMET University
, Chennai, Chennai-603112, India
Search for other works by this author on:
a)Corresponding author: [email protected]
AIP Conf. Proc. 2861, 040007 (2023)
Citation
S. Komathi, T. R. Heera; In silico pharmacokinetics (ADMET) properties of selective natural flavonoid compounds - A prospect for the development of novel antioxidant drug. AIP Conf. Proc. 7 August 2023; 2861 (1): 040007. https://doi.org/10.1063/5.0159089
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