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Last update 08 May 2025

MECR

Last update 08 May 2025

Basic Info

Synonyms

2-enoyl thioester reductase, CGI-63, Enoyl-[acyl-carrier-protein] reductase, mitochondrial

+ [12]

Introduction

Catalyzes the NADPH-dependent reduction of trans-2-enoyl thioesters in mitochondrial fatty acid synthesis (fatty acid synthesis type II). Fatty acid chain elongation in mitochondria uses acyl carrier protein (ACP) as an acyl group carrier, but the enzyme accepts both ACP and CoA thioesters as substrates in vitro. Displays a preference for medium-chain over short- and long-chain substrates (PubMed:12654921, PubMed:18479707, PubMed:27817865). May provide the octanoyl chain used for lipoic acid biosynthesis, regulating protein lipoylation and mitochondrial respiratory activity particularly in Purkinje cells (By similarity). Involved in iron homeostasis; affecting Fe-S cluster assembly and ceramide metabolism (PubMed:37653044). Required for proper morphology and bioenergetic functions of mitochondria (PubMed:37653044). Required for maintenance of neurons (By similarity).

Drugs associated with MECR

AFN-1252

Target

MECR

Mechanism

MECR inhibitors

Active Org.

GSK Plc

Originator Org.

GSK Plc

Active Indication

Skin and skin structure infections

Inactive Indication

Abscess [+4]

Drug Highest PhasePhase 2

First Approval Ctry. / Loc.-

First Approval Date20 Jan 1800

Afabicin diolamine

Target

MECR

Mechanism

MECR inhibitors

Active Org.

Debiopharm International SA [+1]

Originator Org.

GSK Plc

Active Indication

Arthritis [+4]

Inactive Indication

Bone Diseases, Infectious [+1]

Drug Highest PhasePhase 2

First Approval Ctry. / Loc.-

First Approval Date20 Jan 1800

Nilofabicin

Target

MECR

Mechanism

MECR inhibitors

Active Org.

CG Invites Co., Ltd.

Originator Org.

CG Invites Co., Ltd.

Active Indication

MRSA - Methicillin resistant Staphylococcus aureus infection

Inactive Indication

Skin Diseases, Infectious

Drug Highest PhasePhase 1

First Approval Ctry. / Loc.-

First Approval Date20 Jan 1800

Clinical Trials associated with MECR

NL-OMON48209

/ CompletedNot Applicable

An open-label, single ascending dose study to evaluate the safety and pharmacokinetics of a tablet formulation of CG-549 in healthy subjects - CG-549 tablet pharmacokinetics study

Start Date23 Sep 2019

Sponsor / Collaborator

CG Invites Co., Ltd.

NCT05393856

/ CompletedPhase 1

CG-549 Tablet Pharmacokinetics Study: An Open-label, Single Ascending Dose Study to Evaluate the Safety and Pharmacokinetics of a Tablet Formulation of CG-549 in Healthy Subjects

This will be an open label, crossover, single dose study consisting of 2 parts (Part A and Part B) in a total of 24 healthy male and female subjects.

Start Date23 Sep 2019

Sponsor / Collaborator

CG Invites Co., Ltd.

NCT03723551

/ Active, not recruitingPhase 2

Randomized Open-label Active-controlled Study to Assess the Safety, Tolerability, and Efficacy of Afabicin IV/Oral in the Treatment of Patients With Bone or Joint Infection Due to Staphylococcus

This is a randomized, active-controlled, open-label study to assess the safety, tolerability and efficacy of Afabicin in the treatment of participants with bone or joint infection due to Staphylococcus aureus [both methicillin-susceptible S. aureus (MSSA) and methicillin-resistant S. aureus (MRSA)] and/or coagulase-negative staphylococci (CoNS) and to compare it to standard of care (SOC).

Start Date20 Feb 2019

Sponsor / Collaborator

Debiopharm International SA

100 Clinical Results associated with MECR

100 Translational Medicine associated with MECR

0 Patents (Medical) associated with MECR

429

Literatures (Medical) associated with MECR

24 May 2025·Journal of Biomolecular Structure and Dynamics

In silico and in vitro studies: investigating the chemical composition, DFT, molecular docking, and dynamic simulation of Satureja candidissima (Munby) Briq essential oil as a potential antibacterial agent

Article

Author: Ziane, Mohammed ; Saidi, Ainayat ellah ; Gherib, Mohammed ; Bouzidi, Nebia ; Mioc, Marius ; Rahila, Chaimaa

This study aimed to investigate the chemical composition and antibacterial properties of the essential oil (EO) derived from the aerial parts of Satureja candidissima (Munby) Briq (SC), as well as the mechanisms of interaction between SCEO chemical components and target proteins related to antibacterial activity mechanisms using a molecular docking approach, and for more accuracy molecular dynamic simulation and DFT calculations were carried out. The GC-MS technique was used to analyze the chemical composition of SCEO. The results showed that SCEO contained various chemical compounds, with pulegone being identified as the major component (53.26%). The results also indicated the presence of (+)-menthone (11.02%), borneol (4.43%), 2-cyclohexen-1-one, 3-methyl-6-(1-methylethylidene) (2.50%), and 3-octanol (2.09%). The study revealed that the SCEO displayed antibacterial activity against all tested gram-positive bacteria. To further understand the mechanism behind its antibacterial activity, in silico molecular docking studies were performed. The results indicated that the antibacterial effect of SCEO compounds could be due to the combination with enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (PDB ID: 4ALL) in a variety of ways. The molecular dynamics simulation analysis yielded favorable outcomes for the docked complex involving 1H-cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene, and 1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol with enoyl-[acyl-carrier-protein] reductase [NADPH]. Geometry optimization, coupled with Density Functional Theory (DFT), can be employed to assess the importance of quantum chemical descriptors in elucidating potential antibacterial activity. Quantum descriptors were computed based on E_HOMO and E_LUMO. The results of this study provide important insights into the potential use of Satureja candidissima (Munby) Briq EO as antibacterial agent.

01 Apr 2025·Nature Chemical Biology

Restoring susceptibility to β-lactam antibiotics in methicillin-resistant Staphylococcus aureus

Article

Author: Feltzer, Rhona ; Nguyen, Van T ; Sader, Safaa ; Mobashery, Shahriar ; El-Araby, Amr M ; Jiménez-Faraco, Eva ; Lee, Mijoon ; Kim, Choon ; Fisher, Jed F ; Chang, Mayland ; Hermoso, Juan A ; Thomas, Caitlyn A ; Alba, Alejandra ; Miguel-Ruano, Vega ; Yang, Jingdong ; Schroeder, Valerie A ; Rana, Neha ; Batuecas, Mayte ; Birhanu, Biruk T

Infections by Staphylococcus aureus have been treated historically with β-lactam antibiotics. However, these antibiotics have become obsolete in methicillin-resistant S. aureus by acquisition of the bla and mec operons. The presence of the β-lactam antibiotic is detected by the sensor domains of BlaR and/or MecR, and the information is transmitted to the cytoplasm, resulting in derepression of the antibiotic-resistance genes. We hypothesized that inhibition of the sensor domain would shut down this response system, and β-lactam susceptibility would be restored. An in silico search of 11 million compounds led to a benzimidazole-based hit and, ultimately, to the boronate 4. The X-ray structure of 4 is covalently engaged with the active-site serine of BlaR. Compound 4 potentiates by 16- to 4,096-fold the activities of oxacillin and of meropenem against methicillin-resistant S. aureus strains. The combination of 4 with oxacillin or meropenem shows efficacy in infected mice, validating the strategy.

01 Mar 2025·Chemistry & Biodiversity

Exploring Teucrium Aureo‐Candidum Essential Oil as a Promising Alternative to Triclosan for Targeting Enoyl‐Acyl Carrier Protein Reductase: Chemical Composition, Antibacterial Activity, and Molecular Docking Study

Article

Author: Mohammed, Gherib ; Kamel, Msaada ; Belkacem, Gordo ; Abdel Ilah, Amrouche ; Nadia, Aissaoui ; Sara, Yahla ; Omar, Messaoudi

AbstractThe chemical composition of the essential oil isolated from the aerial parts of Teucrium aureo‐candidum, an endemic aromatic shrub collected from Moghrar and Djeniene Bourezg in the Nâama region (Algeria), was determined for the first time using GC/FID and GC/MS. A total of 45 constituents were identified, representing 87.73 % of the oil. Characterized by unique chemical variability, it was primarily composed of sesquiterpene hydrocarbons (29.53 %) and oxygenated sesquiterpenes (30.06 %), with the major compounds being γ‐cadinene (5.24 %), δ‐cadinene (4.24 %), α‐muurolene (4.04 %), τ‐muurolol (11.35 %), and α‐cadinol (3.30 %). However, monoterpene hydrocarbons and oxygenated monoterpenes accounted for 23.98 % and 1.64 %, respectively, contributing to a relatively low fraction. The essential oil demonstrated notable antibacterial activity, particularly against Gram‐positive bacteria. Due to safety concerns associated with triclosan, a known inhibitor of the Enoyl‐Acyl Carrier Protein Reductase (FabI) enzyme, the essential oil components from this plant were explored as alternatives through a combination of experimental approaches and in silico molecular docking studies. The results revealed that α‐cadinol, spathulenol, caryophyllene, and α‐muurolene exhibited strong FabI inhibition, with better bioavailability and lower toxicity than triclosan, highlighting their potential in combating antibiotic‐resistant bacteria.

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