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Machine-Learning-Aided Engineering Hemoglobin as Carbene Transferase for Catalyzing Enantioselective Olefin Cyclopropanation.
JACS Au
December 2024
Key Laboratory of Molecular Enzymology and Engineering of Ministry of Education, School of Life Sciences, Jilin University, Changchun 130023, P. R. China.
In this study, we developed a machine-learning-aided protein design strategy for engineering hemoglobin (VHb) as carbene transferase. A Natural Language Processing (NLP) model was used for the first time to construct an algorithm (EESP, enzyme enantioselectivity score predictor) and predict the enantioselectivity of VHb. We identified critical amino acid residue sites by molecular docking and established a simplified mutation library by site-saturated mutagenesis.
View Article and Find Full Text PDFThe mechanism of autoreduction in Dehaloperoxidase-A.
Biochem Biophys Res Commun
January 2025
Department of Chemistry, North Carolina State University, Raleigh, NC, 27695, USA. Electronic address:
Hemoglobin and myoglobin are known to undergo autoxidation, in which the oxyferrous form of the heme is oxidized to the ferric state by O. Dehaloperoxidase-A (DHP-A), a multifunctional catalytic hemoglobin from Amphitrite ornata is an exception and is observed to undergo the reverse process, during which the ferric heme is spontaneously reduced to the oxyferrous form under aerobic conditions. The high reduction potential of DHP (+202 mV at pH 7.
View Article and Find Full Text PDFMolecular Profile of BCR-ABL1 Negative Myeloproliferative Neoplasm in a Moroccan Population.
Asian Pac J Cancer Prev
November 2024
Cytogenetics Laboratory, Pasteur Institute of Morocco (IPM), 1 Place Louis Pasteur, 20360 Casablanca, Morocco.
Introduction: Myeloproliferative neoplasms (MPN) are associated with clonal hematopoiesis, genomic instability, hemostasis dysregulation, and immune response. Classic BCR-ABL1 negative myeloproliferative neoplasms (BCR-ABL1 negative MPN), including polycythemia vera (PV), essential thrombocythemia (ET), and primary myelofibrosis (PMF), are frequently associated with somatic abnormalities in JAK2, CALR, and MPL. Mutant clones induce an inflammatory immune response leading to immuno-thrombosis.
View Article and Find Full Text PDFArtemisinin-resistant Plasmodium falciparum Kelch13 mutant proteins display reduced heme-binding affinity and decreased artemisinin activation.
Commun Biol
November 2024
Special Centre for Molecular Medicine, Jawaharlal Nehru University, New Delhi, Delhi, 110067, India.
The potency of frontline antimalarial drug artemisinin (ART) derivatives is triggered by heme-induced cleavage of the endoperoxide bond to form reactive heme-ART alkoxy radicals and covalent heme-ART adducts, which are highly toxic to the parasite. ART-resistant (ART-R) parasites with mutations in the Plasmodium falciparum Kelch-containing protein Kelch13 (PfKekch13) exhibit impaired hemoglobin uptake, reduced yield of hemoglobin-derived heme, and thus decreased ART activation. However, any direct involvement of PfKelch13 in heme-mediated ART activation has not been reported.
View Article and Find Full Text PDFOligodendrocyte Slc48a1 (Hrg1) encodes a functional heme transporter required for myelin integrity.
Glia
February 2025
Wellcome-MRC Cambridge Stem Cell Institute, University of Cambridge, Cambridge, UK.
Article Synopsis
- * Hrg1 is specifically expressed in mature oligodendrocytes and is co-localized with myelin sheaths, suggesting its significant role in myelination.
- * Hrg1 null mutant mice displayed myelin defects and lower levels of myelin iron, indicating that Hrg1 is essential for maintaining myelin integrity and proper cell differentiation.
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