Molecular docking analysis of potential compounds from an Indian medicinal soup “kabasura kudineer” extract with IL-6

The use of “kabasura kudineer” (liquid soup made from Indian medicinal plants) for combating COVID-19 has been common in the states of Tamilnadu and Puducherry, India during the pandemic. Therefore, it is of interest to document the molecular docking analysis of IL-6 inhibitors with potential antiviral compounds from “kabasura kudineer” extract. We show the optimal binding features of gallic acid and luteolin with the Interleukin-6 protein for further consideration.

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Molecular docking analysis of COX-2 for potential inhibitors

Bioinformation ◽

10.6026/97320630016753 ◽

2020 ◽

Vol 16 (10) ◽

pp. 753-758

Author(s):

Jayaraman Selvaraj ◽

Keyword(s):

Breast Cancer ◽

Molecular Docking ◽

Medicinal Plants ◽

Cyclooxygenase 2 ◽

Docking Analysis ◽

Natural Alkaloid ◽

Cox 2 ◽

Potential Inhibitors ◽

Molecular Docking Analysis

Cyclooxygenase-2 (COX-2) is liked with breast cancer. Therefore, it is of interest to design and develop new yet effective compounds against COX-2 from medicinal plants such as the natural alkaloid compounds. We document the optimal binding features of aristolochicacid with COX-2 protein for further consideration.

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Molecular Docking Analysis of Anti-malarial Compounds as Plasmepsin IV Inhibitor from Targeted Indonesian Medicinal Plants

10.11594/nstp.2021.0801 ◽

2021 ◽

Keyword(s):

Molecular Docking ◽

Medicinal Plants ◽

Docking Analysis ◽

Molecular Docking Analysis

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Molecular docking analysis of beta-catenin with compounds derived from Lycopersicon esculentum

Bioinformation ◽

10.6026/97320630016801 ◽

2020 ◽

Vol 16 (11) ◽

pp. 801-806

Author(s):

Jayaraman Selvaraj ◽

Keyword(s):

Colorectal Cancer ◽

Molecular Docking ◽

Lycopersicon Esculentum ◽

Chlorogenic Acid ◽

Gallic Acid ◽

Vanillic Acid ◽

Protocatechuic Acid ◽

Beta Catenin ◽

Docking Analysis ◽

Molecular Docking Analysis

Beta-catenin is linked with colorectal cancer (CRC). Therefore, it is of interest to design and develop novel compounds to combat CRC. Hence, we document compounds (chlorogenic acid, gallic acid, protocatechuic acid, quercetin and vanillic acid) from Lycopersicon esculentum with optimal binding features for further consideration.

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Antioxidant and α-Glucosidase Inhibitory Activities of Fisetin

Natural Product Communications ◽

10.1177/1934578x1801301119 ◽

2018 ◽

Vol 13 (11) ◽

pp. 1934578X1801301 ◽

Cited By ~ 1

Author(s):

Yike Yue ◽

Yongsheng Chen ◽

Sheng Geng ◽

Guizhao Liang ◽

Benguo Liu

Keyword(s):

Antioxidant Activity ◽

Molecular Docking ◽

Medicinal Plants ◽

Hydrogen Bonds ◽

Competitive Inhibition ◽

Radical Scavenging ◽

Docking Analysis ◽

Inhibitory Activities ◽

Molecular Docking Analysis

Fisetin is a flavonoid widespread in vegetables, fruits and medicinal plants. The in vitro antioxidant and α-glucosidase inhibitory activities of fisetin were systemically investigated in this study. The DPPH and ABTS radical scavenging performance of fisetin was higher than that of BHA. In the ORAC and PSC assays, fisetin also exhibited strong antioxidant activity. The α-glucosidase inhibitory activity of fisetin (IC50, 9.38±0.35 μg/mL) was significantly superior to that of acarbose (IC50, 1.07±0.15 mg/mL). Its inhibition type was determined to be a mixed competitive and non-competitive inhibition mode. Molecular docking analysis suggested it could exert the α-glucosidase inhibitory role by forming hydrogen bonds with the TRP391, ASP392, ARG428 and ASP568 residues of α-glucosidase.

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