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  • An In-Silico, In-Vitro and In-Vivo Combined Approach to Identify NMNATs as Potential Protein Targets of ProEGCG for Treatment of Endometriosis.

An In-Silico, In-Vitro and In-Vivo Combined Approach to Identify NMNATs as Potential Protein Targets of ProEGCG for Treatment of Endometriosis.

Frontiers in pharmacology (2021-11-02)
Sze Wan Hung, Bo Liang, Yating Gao, Ruizhe Zhang, Zhouyurong Tan, Tao Zhang, Pui Wah Jacqueline Chung, Tak Hang Chan, Chi Chiu Wang
ABSTRACT

Endometriosis is defined as endometrial tissues found outside the uterine cavity. ProEGCG is a prodrug of Epigallocatechin gallate (EGCG), a potent polyphenol found in green tea. It inhibits the development of endometriotic lesions of mouse model in vivo, with higher efficacy and more remarkable anti-oxidative ability than EGCG. Our study aims to identify the molecular binding targets and pharmacological actions of ProEGCG in treating endometriosis. Protein target interaction study is essential to fully characterize the mechanism of actions, related therapeutic effects, and side effects. We employed a combined approach, starting with an in silico reverse screening of protein targets and molecular docking, followed by in vitro cellular thermal shift assay (CESTA) to assess the stability of protein-small molecule complexes. Then microarray and immunostaining of endometriotic lesions in mice in vivo confirmed the molecular interaction of the selected targets after treatment. Our study identified enzymes nicotinamide nucleotide adenylyltransferase (NMNAT)1 and NMNAT3 as protein targets of ProEGCG in silico and in vitro and were overexpressed after ProEGCG treatment in vivo. These findings suggested that participation in nicotinate and nicotinamide metabolism potentially regulated the redox status of endometriosis via its antioxidative capacities through binding to the potential therapeutic targets of ProEGCG.

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Collagenase from Clostridium histolyticum, lyophilized powder, ≥125 CDU/mg solid (CDU = collagen digestion units), 0.5-5.0 FALGPA units/mg solid
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β-Estradiol, BioReagent, powder, suitable for cell culture
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100 mL
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¥612.82
500 mL
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¥659.76
500 mL
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2.5 L
Estimated to ship on 2025年8月28日
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(−)-Epigallocatechin gallate, ≥95%
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SKUPack SizeAvailabilityPriceQuantity
100 mL
In Stock
Details...
¥612.82
500 mL
In Stock
Details...
¥659.76
500 mL
In Stock
Details...
¥741.71
2.5 L
Estimated to ship on 2025年8月28日
Details...
¥1,551.46