Evaluation of in silico anticancer activity of bioactive compounds of black ginger as VEGFR2 inhibitors

Các tác giả

  • Trần Trung Trĩnh Trường Đại học Quốc tế Hồng Bàng
  • Lê Thị Tường Vi Đại Học Y Dược Thành Phố Hồ Chí Minh
  • Võ Thị Bích Ngọc Trường Đại học Quốc tế Hồng Bàng
  • Lý Hồng Hương Hạ Trường Đại học Quốc tế Hồng Bàng
  • Phạm Cảnh Em Trường Đại học Quốc tế Hồng Bàng
DOI: https://doi.org/10.59294/HIUJS.VOL.6.2024.626

Từ khóa:

gừng đen, kháng ung thư, in silico, docking phân tử, VEGFR2

Abstract

The main components of black ginger (Kaempferia parviflora Wall ex Baker.) show diverse biological effects, especially potential anticancer activity. Thirty-five bioactive compounds were screened for anticancer activity by molecular docking with AutoDock Vina software on VEGFR2 kinase. Five bioactive compounds of black ginger showed the strongest interaction with VEGFR2 target, especially stronger than the reference drug Axitinib (-9.2 Kcal/mol) including 5-Hydroxy-7,4'-dimethoxyflavanone (-9.9 Kcal/mol), Kaempferide (-9.7 Kcal/mol), 5-Hydroxy-7-methoxyflavone (-9.6 Kcal/mol), Genkwanin (-9.6 Kcal/mol), and Sakuranetin (-9.5 Kcal/mol). Kaempferide formed the most hydrogen bonds on VEGFR2 kinase with four strong hydrogen bonds (1.76-2.86 Å) and one carbon-hydrogen bond (3.78 Å). The hydrogen bonds are formed at the hydroxy (-OH) and methoxy (-OCH3) groups of these phytocompounds. In particular, these bioactive compounds all demonstrated hydrogen bond formation, hydrogen bond length, and hydrophobic interactions at levels equal to or better than the reference drug Axitinib. Therefore, these compounds could be potential molecules to develop new anticancer drugs on the VEGFR2 target.

Tài liệu tham khảo

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Tải xuống

Số lượt xem: 552
Tải xuống: 30

Đã xuất bản

24.06.2024

Cách trích dẫn

[1]
T. T. T. Trần Trung Trĩnh, L. T. T. V. Lê Thị Tường Vi, V. T. B. N. Võ Thị Bích Ngọc, Lý Hồng Hương Hạ, và P. C. E. Pham Canh Em, “Evaluation of in silico anticancer activity of bioactive compounds of black ginger as VEGFR2 inhibitors”, HIUJS, vol 6, tr 27–36, tháng 6 2024.

Số

Chuyên mục

HEALTH SCIENCES

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