Natural products as a gold mine for selective matrix metalloproteinases inhibitors

Liyan Wang; Xi Li; Shoude Zhang; Weiqiang Lu; Sha Liao; Xiaofeng Liu; Lei Shan; Xu Shen; Hualiang Jiang; Weidong Zhang; Jin Huang; Honglin Li

doi:10.1016/j.bmc.2012.04.063

Natural products as a gold mine for selective matrix metalloproteinases inhibitors

Liyan Wang
, Xi Li
, Shoude Zhang
, Weiqiang Lu
, Sha Liao
, Xiaofeng Liu
, Lei Shan
, Xu Shen
, Hualiang Jiang
, Weidong Zhang^*
, Jin Huang
, Honglin Li

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

44 Scopus citations

Abstract

Nineteen natural compounds with diverse structures are identified as potential MMPIs using structure-based virtual screening from 4000 natural products. Hydroxycinnamic acid or analogs of natural products are important for potent inhibitory and selectivity against MMPs, and the solvent effect in the S1′ pocket can affect the hydrophobic interactions and hydrogen bonds between MMPIs and MMPS, making MMPIs exhibit certain selectivity for a specific MMP isoenzyme. Furthermore, compound 5 can reduce the expression of both MMP-2 and active-MMP-9, and suppress the migration of MDA-MB-231 tumor cell in a wound healing assay, which may be further developed as an anticancer agent.

Original language	English
Pages (from-to)	4164-4171
Number of pages	8
Journal	Bioorganic and Medicinal Chemistry
Volume	20
Issue number	13
DOIs	https://doi.org/10.1016/j.bmc.2012.04.063
State	Published - 1 Jul 2012
Externally published	Yes

Keywords

Anticancer agent
Matrix metalloproteinases
Natural product
Virtual screening

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10.1016/j.bmc.2012.04.063

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title = "Natural products as a gold mine for selective matrix metalloproteinases inhibitors",

abstract = "Nineteen natural compounds with diverse structures are identified as potential MMPIs using structure-based virtual screening from 4000 natural products. Hydroxycinnamic acid or analogs of natural products are important for potent inhibitory and selectivity against MMPs, and the solvent effect in the S1′ pocket can affect the hydrophobic interactions and hydrogen bonds between MMPIs and MMPS, making MMPIs exhibit certain selectivity for a specific MMP isoenzyme. Furthermore, compound 5 can reduce the expression of both MMP-2 and active-MMP-9, and suppress the migration of MDA-MB-231 tumor cell in a wound healing assay, which may be further developed as an anticancer agent.",

keywords = "Anticancer agent, Matrix metalloproteinases, Natural product, Virtual screening",

author = "Liyan Wang and Xi Li and Shoude Zhang and Weiqiang Lu and Sha Liao and Xiaofeng Liu and Lei Shan and Xu Shen and Hualiang Jiang and Weidong Zhang and Jin Huang and Honglin Li",

year = "2012",

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doi = "10.1016/j.bmc.2012.04.063",

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TY - JOUR

T1 - Natural products as a gold mine for selective matrix metalloproteinases inhibitors

AU - Wang, Liyan

AU - Li, Xi

AU - Zhang, Shoude

AU - Lu, Weiqiang

AU - Liao, Sha

AU - Liu, Xiaofeng

AU - Shan, Lei

AU - Shen, Xu

AU - Jiang, Hualiang

AU - Zhang, Weidong

AU - Huang, Jin

AU - Li, Honglin

PY - 2012/7/1

Y1 - 2012/7/1

N2 - Nineteen natural compounds with diverse structures are identified as potential MMPIs using structure-based virtual screening from 4000 natural products. Hydroxycinnamic acid or analogs of natural products are important for potent inhibitory and selectivity against MMPs, and the solvent effect in the S1′ pocket can affect the hydrophobic interactions and hydrogen bonds between MMPIs and MMPS, making MMPIs exhibit certain selectivity for a specific MMP isoenzyme. Furthermore, compound 5 can reduce the expression of both MMP-2 and active-MMP-9, and suppress the migration of MDA-MB-231 tumor cell in a wound healing assay, which may be further developed as an anticancer agent.

AB - Nineteen natural compounds with diverse structures are identified as potential MMPIs using structure-based virtual screening from 4000 natural products. Hydroxycinnamic acid or analogs of natural products are important for potent inhibitory and selectivity against MMPs, and the solvent effect in the S1′ pocket can affect the hydrophobic interactions and hydrogen bonds between MMPIs and MMPS, making MMPIs exhibit certain selectivity for a specific MMP isoenzyme. Furthermore, compound 5 can reduce the expression of both MMP-2 and active-MMP-9, and suppress the migration of MDA-MB-231 tumor cell in a wound healing assay, which may be further developed as an anticancer agent.

KW - Anticancer agent

KW - Matrix metalloproteinases

KW - Natural product

KW - Virtual screening

UR - https://www.scopus.com/pages/publications/84862239365

U2 - 10.1016/j.bmc.2012.04.063

DO - 10.1016/j.bmc.2012.04.063

M3 - 文章

C2 - 22658537

AN - SCOPUS:84862239365

SN - 0968-0896

VL - 20

SP - 4164

EP - 4171

JO - Bioorganic and Medicinal Chemistry

JF - Bioorganic and Medicinal Chemistry

IS - 13

ER -

Natural products as a gold mine for selective matrix metalloproteinases inhibitors

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Keywords

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