Docking Based Screening of Potent Flavonoids as CHK2 Inhibitors from Genus Miliusa

被引：1

作者：

Moodbagil C.I. ^{[1
]}

Mahmood R. ^{[1
]}

Jain R.S.K. ^{[1
]}

Meghana P. ^{[1
]}

Prashanth N. ^{[1
]}

Kumaraswamy H.M. ^{[1
]}

Sharath R. ^{[2
]}

机构：

[1] Laboratory of Experimental Medicine, Department of PG Studies and Research in Biotechnology, Kuvempu University, Karnataka, Shankaraghatta

[2] Department of Food Technology, Davangere University, Karnataka, Davangere

来源：

Proceedings of the National Academy of Sciences, India Section B: Biological Sciences | 2023年 / 93卷 / 1期

关键词：

Checkpoint kinase 2; DNA damage response; Flavonoids; Genus Miliusa; Molecular docking;

D O I：

10.1007/s40011-022-01394-8

中图分类号：

学科分类号：

摘要：

Annonaceae plants play significant role in ethanopharmacology due to their medicinal properties and phytochemically rich edible fruits. In that, flavonoids synchronize cellular activity and scavenge free radicals that are potentially active in causing DNA damage and promote tumors. CHK2 kinase is termed as a tumor suppressor and considered as alluring drug target for apoptosis induction as a result to DNA damage. In the present study, natural bioactive flavonoids from genus Miliusa such as artemetin, pachypodol, rhamnazin, rhamnetin, rutin along with standard drugs bis-guanylhydrazone (NSC109555) and debromohymenialdisine were used for the investigation of CHK2 inhibition through in silico virtual screening studies. Among the tested flavonoids, best binding affinity was recorded ranging from − 6.4 to − 7.7 Kcal/mol. Standard drugs bisguanylhydrazone, debromohymenialdisine and natural compound rutin showed higher binding score of − 8.5, − 15.7 and − 7.7 Kcal/mol, respectively. The results clearly illustrate that flavonoids have the capability to inhibit CHK2-mediated signaling DNA damage response pathway. © 2022, The Author(s), under exclusive licence to The National Academy of Sciences, India.

引用

页码：159 / 164

页数：5

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