Warning: Undefined array key "mm" in /www/wwwroot/www.ai-bt.com/si.php on line 10 Deprecated: trim(): Passing null to parameter #1 ($string) of type string is deprecated in /www/wwwroot/www.ai-bt.com/si.php on line 10 In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors.

Literature DB >> 16288866

In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors.

Y John Zhang¹, Zhaolin Wang, Dennis Sprous, Roustem Nabioullin.

Abstract

Fragment-based virtual library design and virtual screening have been conducted against malic enzyme (ME) homology model. Several scaffolds have been identified as promising motifs to target ME's NADP binding site. One small focused library has been synthesized and tested against ME. Several compounds from this library have shown sub-micromolar inhibitory activity against malic enzyme.

Entities: Chemical

Mesh：

Substances：

Year: 2005 PMID： 16288866 DOI： 10.1016/j.bmcl.2005.10.065

Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823

Keyword Cloud
Cited

8 in total

Review 1. Malic enzyme 1 (ME1) in the biology of cancer: it is not just intermediary metabolism.

Authors: Frank A Simmen; Iad Alhallak; Rosalia C M Simmen
Journal: J Mol Endocrinol Date: 2020-11 Impact factor: 5.098

2. Malic Enzyme 1 Absence in Synovial Sarcoma Shifts Antioxidant System Dependence and Increases Sensitivity to Ferroptosis Induction with ACXT-3102.

Authors: Caitlyn B Brashears; Bethany C Prudner; Richa Rathore; Katharine E Caldwell; Carina A Dehner; Jane L Buchanan; Sara E S Lange; Neal Poulin; Jennifer K Sehn; Jason Roszik; Dirk Spitzer; Kevin B Jones; Regis O'Keefe; Torsten O Nielsen; Eric B Taylor; Jason M Held; William Hawkins; Brian A Van Tine
Journal: Clin Cancer Res Date: 2022-08-15 Impact factor: 13.801

3. Enhanced gastrointestinal expression of cytosolic malic enzyme (ME1) induces intestinal and liver lipogenic gene expression and intestinal cell proliferation in mice.

Authors: Ahmed Al-Dwairi; Adam R Brown; John Mark P Pabona; Trang H Van; Hamdan Hamdan; Charles P Mercado; Charles M Quick; Patricia A Wight; Rosalia C M Simmen; Frank A Simmen
Journal: PLoS One Date: 2014-11-17 Impact factor: 3.240

In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors.

Review 1. Malic enzyme 1 (ME1) in the biology of cancer: it is not just intermediary metabolism.

2. Malic Enzyme 1 Absence in Synovial Sarcoma Shifts Antioxidant System Dependence and Increases Sensitivity to Ferroptosis Induction with ACXT-3102.

3. Enhanced gastrointestinal expression of cytosolic malic enzyme (ME1) induces intestinal and liver lipogenic gene expression and intestinal cell proliferation in mice.

4. Calcium(ii)-catalyzed enantioselective conjugate additions of amines.

5. Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP⁺-Dependent Malic Enzyme 1.

6. Biophysical characterization of the dimer and tetramer interface interactions of the human cytosolic malic enzyme.

7. Malic Enzyme 1 (ME1) is pro-oncogenic in Apc^Min/+ mice.

8. Lactate and glutamine support NADPH generation in cancer cells under glucose deprived conditions.