Small angle X-ray scattering and molecular dynamic simulations provide molecular insight for stability of recombinant human transferrin

Autor: Alina Kulakova, Sowmya Indrakumar, Pernille Sønderby, Lorenzo Gentiluomo, Werner Streicher, Dierk Roessner, Wolfgang Frieß, Günther H.J. Peters, Pernille Harris

Publikováno v: Journal of Structural Biology: X, Vol 4, Iss , Pp 100017- (2020)

Transferrin is an attractive candidate for drug delivery due to its ability to cross the blood brain barrier. However, in order to be able to use it for therapeutic purposes, it is important to investigate how its stability depends on different formu

Externí odkaz: https://doaj.org/article/a92acadb0a5249629cba80c8d938c834

Dynamics of Human Serum Transferrin in Varying Physicochemical Conditions Explored by Using Molecular Dynamics Simulations

Autor: Sowmya Indrakumar, Günther H.J. Peters, Pernille Harris, Alina Kulakova

Conformational stability of human serum transferrin (Tf) at varying pH, salt, and excipient concentrations were investigated using molecular dynamics (MD) simulations and the results are compared with previously published small angle X-ray scattering

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b31c66671798d9708d9b191ee96dc533
https://doi.org/10.1101/2022.01.28.478130

Development of a Fast Screening Method for Selecting Excipients in Formulations using MD simulations, NMR and MicroScale Thermophoresis

Autor: Werner Streicher, Christin Pohl, Alexander P. Golovanov, Pernille Harris, Matja Zalar, Sowmya Indrakumar, Nuska Tschammer, Allan Nørgaard, Günther H.J. Peters

Publikováno v: Indrakumar, S, Zalar, M, Tschammer, N, Pohl, C A, Nørgaard, A, Streicher, W, Harris, P, Golovanov, A P & Peters, G H J 2021, ' Development of a Fast Screening Method for Selecting Excipients in Formulations using MD simulations, NMR and MicroScale Thermophoresis ', European Journal of Pharmaceutics and Biopharmaceutics, vol. 158, pp. 11-20 . https://doi.org/10.1016/j.ejpb.2020.10.015

Development of peptide therapeutics generally involves screening of excipients that inhibit peptide-peptide interactions, hence aggregation, and improve peptide stability. We used the therapeutic peptide plectasin to develop a fast screening method t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a53ed78bec97c51dee0259e918874e4
https://orbit.dtu.dk/en/publications/4305e7c3-4649-4809-9959-fe8436ce07c3

Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization

Autor: Shahid Uddin, Christin Pohl, Christopher F. van der Walle, Inas El Bialy, Jeremy P. Derrick, Andreas Tosstorff, Robin Curtis, Sujata Mahapatra, Werner Streicher, Dillen Augustijn, Aisling Roche, Alina Kulakova, Wolfgang Frieß, Åsmund Rinnan, Hristo L. Svilenov, Dierk Roessner, Lorenzo Gentiluomo, Sowmya Indrakumar, Alain Pluen, Gerhard Winter, Pernille Harris, Allan Nørgaard, Günther H.J. Peters, Maria Laura Greco, Marcello Martinez Morales, Tarik A. Khan

Publikováno v: Molecular Pharmaceutics
Gentiluomo, L, Svilenov, H L, Augustijn, D, El Bialy, I, Greco, M L, Vitaliyivna Kulakova, A, Indrakumar, S, Mahapatra, S, Morales, M M, Pohl, C, Roche, A, Tosstorff, A, Curtis, R, Derrick, J P, Nørgaard, A, Khan, T A, Peters, G H J, Pluen, A, Rinnan, Å, Streicher, W W, van der Walle, C F, Uddin, S, Winter, G, Roessner, D, Harris, P & Frieß, W 2020, ' Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization ', Molecular Pharmaceutics, vol. 17, no. 2, pp. 426-440 . https://doi.org/10.1021/acs.molpharmaceut.9b00852
Gentiluomo, L, Svilenov, H L, Augustijn, D, El Bialy, I, Greco, M L, Kulakova, A, Indrakumar, S, Mahapatra, S, Morales, M M, Pohl, C, Roche, A, Tosstorff, A, Curtis, R, Derrick, J P, Nørgaard, A, Khan, T A, Peters, G H J, Pluen, A, Rinnan, Å, Streicher, W W, van der Walle, C F, Uddin, S, Winter, G, Roessner, D, Harris, P & Friess, W 2020, ' Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization ', Molecular Pharmaceutics, vol. 17, no. 2, pp. 426-440 . https://doi.org/10.1021/acs.molpharmaceut.9b00852

Therapeutic protein candidates should exhibit favorable properties that render them suitable to become drugs. Nevertheless, there are no well-established guidelines for the efficient selection of proteinaceous molecules with desired features during e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::414939ada22b81281c984e3f808bda3d

Conformational Stability Study of a Therapeutic Peptide Plectasin Using Molecular Dynamics Simulations in Combination with NMR

Autor: Werner Streicher, Christin Pohl, Pernille Harris, Matja Zalar, Günther H.J. Peters, Allan Nørgaard, Sowmya Indrakumar, Alexander P. Golovanov

Publikováno v: Indrakumar, S, Zalar, M, Pohl, C, Nørgaard, A, Streicher, W, Harris, P, Golovanov, A P & Peters, G H J 2019, ' Conformational Stability Study of a Therapeutic Peptide Plectasin Using Molecular Dynamics Simulations in Combination with NMR ', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 123, no. 23, pp. 4867-4877 . https://doi.org/10.1021/acs.jpcb.9b02370
The Journal of Physical Chemistry B
Indrakumar, S, Zalar, M, Pohl, C, Nørgaard, A, Streicher, W, Harris, P, Golovanov, A P & Peters, G H J 2019, ' Conformational Stability Study of a Therapeutic Peptide Plectasin Using Molecular Dynamics Simulations in Combination with NMR ', The Journal of Physical Chemistry Part B . https://doi.org/10.1021/acs.jpcb.9b02370

Plectasin is a small, cysteine-rich peptide antibiotic which belongs to the class of antimicrobial peptides and has potential antibacterial activity against various Gram-positive bacteria. In the current study, the effect of pH and ionic strength (Na

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b14acb1f23ea6f33800a4d1bda45a96
https://pubmed.ncbi.nlm.nih.gov/31099578