Computations reveal a crucial role of an aromatic dyad in the catalytic function of plant cytochrome P450 mint superfamily.

Quantum Theory Mentha / metabolism Cytochrome P-450 Enzyme System / metabolism Hydroxylation Molecular Dynamics Simulation
Bioengineering CytochromeP450 Molecular dynamics simulations QM/MM calculations Reaction mechanism

Journal

Journal of inorganic biochemistry
ISSN: 1873-3344
Titre abrégé: J Inorg Biochem
Pays: United States
ID NLM: 7905788

Informations de publication

Date de publication:
12 2022
Historique:
received: 31 05 2022
revised: 27 07 2022
accepted: 31 08 2022
pubmed: 18 9 2022
medline: 2 11 2022
entrez: 17 9 2022
Statut: ppublish

Résumé

Enzymes are highly specific for their native functions, however with advances in bioengineering tools such as directed evolution, several enzymes are being repurposed for the secondary function of contemporary significance(Khersonsky and Tawfik, 2010 [1]

Identifiants

DOI: 10.1016/j.jinorgbio.2022.111990 PMID: 36115330
pubmed: 36115330
pii: S0162-0134(22)00279-3
doi: 10.1016/j.jinorgbio.2022.111990
pii:
doi:

Substances chimiques

Cytochrome P-450 Enzyme System 9035-51-2

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

111990

Informations de copyright

Copyright © 2022 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of Competing Interest All authors of this manuscript declare no conflict of interest.

Auteurs

Vandana Kardam (V)

Department of Chemistry, School of Natural Sciences, Shiv Nadar Institution of Eminence Delhi-NCR, NH91, Tehsil Dadri, Greater Noida, Uttar Pradesh 201314, India.

Surajit Kalita (S)

Department of Chemistry, School of Natural Sciences, Shiv Nadar Institution of Eminence Delhi-NCR, NH91, Tehsil Dadri, Greater Noida, Uttar Pradesh 201314, India.

Kshatresh Dutta Dubey (KD)

Department of Chemistry, School of Natural Sciences, Shiv Nadar Institution of Eminence Delhi-NCR, NH91, Tehsil Dadri, Greater Noida, Uttar Pradesh 201314, India. Electronic address: kshatresh.dubey@snu.edu.in.

Articles similaires

Atomic view of photosynthetic metabolite permeability pathways and confinement in synthetic carboxysome shells.

Daipayan Sarkar, Christopher Maffeo, Markus Sutter et al.
1.00
Photosynthesis Ribulose-Bisphosphate Carboxylase Carbon Dioxide Molecular Dynamics Simulation Cyanobacteria

Drug repurposing against fucosyltransferase-2 via docking, STD-NMR, and molecular dynamic simulation studies.

Muhammad Atif, Humaira Zafar, Atia-Tul- Wahab et al.
1.00
Fucosyltransferases Drug Repositioning Molecular Docking Simulation Molecular Dynamics Simulation Humans

Saccharomyces cerevisiae whole cell biotransformation for the production of aldehyde flavors and fragrances.

Nazreen V M Abdul Muthaliff, Yao Zong Ng, Wei Mei Guo et al.
1.00
Saccharomyces cerevisiae Aldehydes Biotransformation Flavoring Agents Lipoxygenase

A head-to-head comparison of MM/PBSA and MM/GBSA in predicting binding affinities for the CB

Mei Qian Yau, Clarence W Y Liew, Jing Hen Toh et al.
1.00
Receptor, Cannabinoid, CB1 Ligands Molecular Dynamics Simulation Protein Binding Thermodynamics

Classifications MeSH

questionsmedicales.fr › Disciplines des sciences naturelles › Physique › Physique nucléaire › Théorie quantique › Computations reveal a crucial role of an...
questionsmedicales.fr › Eucaryotes › Viridiplantae › Streptophyta › Embryophyta › Tracheobionta › Magnoliopsida › Lamiales › Lamiaceae › Mentha › Computations reveal a crucial role of an...
questionsmedicales.fr › Acides aminés, peptides et protéines › Protéines › Hémoprotéines › Cytochromes › Cytochrome P-450 enzyme system › Computations reveal a crucial role of an...
questionsmedicales.fr › Métabolisme › Hydroxylation › Computations reveal a crucial role of an...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Computations reveal a crucial role of an...