PDBsum entry 3cdp

Transcription

PDB id: 3cdp

Contents

Protein chain

270 a.a. *

Ligands

YRG

Waters ×65

* Residue conservation analysis

PDB id:

3cdp

Name:

Transcription

Title:

Crystal structure of ppar-gamma lbd complexed with a partial agonist, analogue of clofibric acid

Structure:

Peroxisome proliferator-activated receptor gamma. Chain: a, b. Fragment: ligand binding domain (lbd), unp residues 223-504. Synonym: ppar-gamma, nuclear receptor subfamily 1 group c member 3. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.80Å R-factor: 0.236 R-free: 0.298

Authors:

G.Pochetti,R.Montanari,F.Mazza

Key ref:

G.Fracchiolla et al. (2012). Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors α/γ dual agonists. Bioorg Med Chem Lett, 20, 2141-2151. PubMed id: 22341573

Date:

27-Feb-08 Release date: 13-Jan-09

Protein chains

P37231  (PPARG_HUMAN) -  Peroxisome proliferator-activated receptor gamma from Homo sapiens

Seq: 505 a.a.

Struc: 270 a.a.

Enzyme reactions

• Enzyme class: E.C.?

Bioorg Med Chem Lett 20:2141-2151 (2012)

PubMed id: 22341573

Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors α/γ dual agonists.

G.Fracchiolla, A.Laghezza, L.Piemontese, M.Parente, A.Lavecchia, G.Pochetti, R.Montanari, C.Di Giovanni, G.Carbonara, P.Tortorella, E.Novellino, F.Loiodice.

ABSTRACT

PPARs are transcription factors that govern lipid and glucose homeostasis and play a central role in cardiovascular disease, obesity, and diabetes. Thus, there is significant interest in developing new agonists for these receptors. Given that the introduction of fluorine generally has a profound effect on the physical and/or biological properties of the target molecule, we synthesized a series of fluorinated analogs of the previously reported compound 2, some of which turned out to be remarkable PPARα and PPARγ dual agonists. Docking experiments were also carried out to gain insight into the interactions of the most active derivatives with both receptors.