Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives

[Image: see text] An in silico study, using the GALAS algorithm available in ACD/PhysChem Suite, was performed to calculate the pK(a)(s) of various oximes with potential application as peptide coupling additives. Among the known oximes and predicted structures, OxymaPure is superior based on the pK(...

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Autores principales: Manne, Srinivasa Rao, Sharma, Anamika, Sazonovas, Andrius, El-Faham, Ayman, de la Torre, Beatriz G., Albericio, Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8867806/
https://www.ncbi.nlm.nih.gov/pubmed/35224362
http://dx.doi.org/10.1021/acsomega.1c06342
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author Manne, Srinivasa Rao
Sharma, Anamika
Sazonovas, Andrius
El-Faham, Ayman
de la Torre, Beatriz G.
Albericio, Fernando
author_facet Manne, Srinivasa Rao
Sharma, Anamika
Sazonovas, Andrius
El-Faham, Ayman
de la Torre, Beatriz G.
Albericio, Fernando
author_sort Manne, Srinivasa Rao
collection PubMed
description [Image: see text] An in silico study, using the GALAS algorithm available in ACD/PhysChem Suite, was performed to calculate the pK(a)(s) of various oximes with potential application as peptide coupling additives. Among the known oximes and predicted structures, OxymaPure is superior based on the pK(a) values calculated, confirming the results described in the literature and validating this algorithm for further use in that field. Among the nondescribed oximes, based on pK(a) calculation, ethyl 2-(hydroxyimino)-2-nitroacetate seems to be a potential candidate to be used as an additive during peptide coupling.
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spelling pubmed-88678062022-02-25 Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives Manne, Srinivasa Rao Sharma, Anamika Sazonovas, Andrius El-Faham, Ayman de la Torre, Beatriz G. Albericio, Fernando ACS Omega [Image: see text] An in silico study, using the GALAS algorithm available in ACD/PhysChem Suite, was performed to calculate the pK(a)(s) of various oximes with potential application as peptide coupling additives. Among the known oximes and predicted structures, OxymaPure is superior based on the pK(a) values calculated, confirming the results described in the literature and validating this algorithm for further use in that field. Among the nondescribed oximes, based on pK(a) calculation, ethyl 2-(hydroxyimino)-2-nitroacetate seems to be a potential candidate to be used as an additive during peptide coupling. American Chemical Society 2022-02-09 /pmc/articles/PMC8867806/ /pubmed/35224362 http://dx.doi.org/10.1021/acsomega.1c06342 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Manne, Srinivasa Rao
Sharma, Anamika
Sazonovas, Andrius
El-Faham, Ayman
de la Torre, Beatriz G.
Albericio, Fernando
Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives
title Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives
title_full Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives
title_fullStr Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives
title_full_unstemmed Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives
title_short Understanding OxymaPure as a Peptide Coupling Additive: A Guide to New Oxyma Derivatives
title_sort understanding oxymapure as a peptide coupling additive: a guide to new oxyma derivatives
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8867806/
https://www.ncbi.nlm.nih.gov/pubmed/35224362
http://dx.doi.org/10.1021/acsomega.1c06342
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