Research output per year
Research output per year
Research output
- 1 - 50 out of 128 results
Search results
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2024
Amino acids as stabilizers for lysozyme during the spray-drying process and storage
Zhang, C., Jørgensen, F. S., van de Weert, M., Bjerregaard, S., Rantanen, J. & Yang, M., 2024, In: International Journal of Pharmaceutics. 659, 124217.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile2 Citations (Scopus)9 Downloads (Pure) -
Domoic Acid as a Lead for the Discovery of the First Selective Ligand for Kainate Receptor Subtype 5 (GluK5)
Buschbom-Helmke, S., Wang, P., Alcaide, A., Miguez-Cabello, F., Carta, M., Viotti, J. S., Nielsen, B., Mulle, C., Bowie, D., Jørgensen, F. S., Pickering, D. S. & Bunch, L., 2024, In: Journal of Medicinal Chemistry. 67, 16, p. 14524–14542Research output: Contribution to journal › Journal article › Research › peer-review
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Effect of Essential Oil Components on the Activity of Steroidogenic Cytochrome P450
Sharma, K., Lanzilotto, A., Yakubu, J., Therkelsen, S., Vöegel, C. D., Du Toit, T., Jørgensen, F. S. & Pandey, A. V., 2024, In: Biomolecules. 14, 2, 19 p., 203.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile2 Citations (Scopus)8 Downloads (Pure) -
2023
Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics
Masternak, M., Koch, A., Laulumaa, S., Tapken, D., Hollmann, M., Jørgensen, F. S. & Kastrup, J. S., 2023, In: F E B S Journal. 290, 15, p. 3781-3801Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile7 Citations (Scopus)23 Downloads (Pure) -
Exploring the Potential of Sulfur Moieties in Compounds Inhibiting Steroidogenesis
Wróbel, T. M., Sharma, K., Mannella, I., Oliaro-Bosso, S., Nieckarz, P., Du Toit, T., Voegel, C. D., Rojas Velazquez, M. N., Yakubu, J., Matveeva, A., Therkelsen, S., Jørgensen, F. S., Pandey, A. V., Pippione, A. C., Lolli, M. L., Boschi, D. & Björkling, F., 2023, In: Biomolecules. 13, 9, 18 p., 1349.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile1 Citation (Scopus)13 Downloads (Pure) -
Non-steroidal CYP17A1 Inhibitors: Discovery and Assessment
Wróbel, T. M., Jørgensen, F. S., Pandey, A. V., Grudzińska, A., Sharma, K., Yakubu, J. & Björkling, F., 2023, In: Journal of Medicinal Chemistry. 66, 10, p. 6542–6566Research output: Contribution to journal › Review › Research › peer-review
Open AccessFile14 Citations (Scopus)15 Downloads (Pure) -
Polypharmacology-labeled molecular networking: An analytical technology workflow for accelerated identification of multiple bioactive constituents in complex extracts
Zhao, Y., Gericke, O., Li, T., Kjaerulff, L., Kongstad, K. T., Heskes, A. M., Møller, B. L., Jørgensen, F. S., Venter, H., Coriani, S., Semple, S. J. & Staerk, D., 2023, In: Analytical Chemistry. 95, 9, p. 4381-4389 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile5 Citations (Scopus)21 Downloads (Pure) -
2022
Itraconazole Reverts ABCB1-Mediated Docetaxel Resistance in Prostate Cancer
Lima, T. S., Souza, L. O., Iglesias-Gato, D., Elversang, J., Jørgensen, F. S., Kallunki, T., Røder, M. A., Brasso, K. & Moreira, J. M. A., 2022, In: Frontiers in Pharmacology. 13, 13 p., 869461.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile11 Citations (Scopus)51 Downloads (Pure) -
Synthesis and Structure–Activity Relationships of Novel Non-Steroidal CYP17A1 Inhibitors as Potential Prostate Cancer Agents
Wróbel, T. M., Rogova, O., Sharma, K., Velazquez, M. N. R., Pandey, A. V., Jørgensen, F. S., Arendrup, F. S., Andersen, K. L. & Björkling, F., 2022, In: Biomolecules. 12, 2, 165.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile7 Citations (Scopus)24 Downloads (Pure) -
2021
Biased cytochrome P450-mediated metabolism via small-molecule ligands binding P450 oxidoreductase
Jensen, S. B., Thodberg, S., Parween, S., Moses, M. E., Hansen, C. C., Thomsen, J., Sletfjerding, M. B., Knudsen, C., Del Giudice, R., Lund, P. M., Castaño, P. R., Bustamante, Y. G., Velazquez, M. N. R., Jørgensen, F. S., Pandey, A. V., Laursen, T., Møller, B. L. & Hatzakis, N. S., 2021, In: Nature Communications. 12, 1, 14 p., 2260.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile35 Citations (Scopus)52 Downloads (Pure) -
Is the unique benzodiazepine structure interacting with CYP enzymes to affect steroid synthesis in vitro?
Johannsen, M. L., Munkboel, C. H., Jorgensen, F. S. & Styrishave, B., 2021, In: Journal of Steroid Biochemistry and Molecular Biology. 205, 10 p., 105765.Research output: Contribution to journal › Journal article › Research › peer-review
1 Citation (Scopus) -
PTR2/POT/NPF transporters: what makes them tick?
Prabhala, B. K., Rahman, M., Nour-Eldin, H. H., Jørgensen, F. S. & Mirza, O., 2021, In: Advances in Protein Chemistry and Structural Biology. 123, p. 219-240 22 p.Research output: Contribution to journal › Review › Research › peer-review
10 Citations (Scopus) -
2020
Discovery of Novel Non-Steroidal Cytochrome P450 17A1 Inhibitors as Potential Prostate Cancer Agents
Wróbel, T. M., Rogova, O., Andersen, K. L., Yadav, R., Brixius-Anderko, S., Scott, E. E., Olsen, L., Jørgensen, F. S. & Björkling, F., 2020, In: International Journal of Molecular Sciences . 21, 14, p. 1-11 4868.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile5 Citations (Scopus)94 Downloads (Pure) -
2019
An Optimized Screen Reduces the Number of GA Transporters and Provides Insights Into Nitrate Transporter 1/Peptide Transporter Family Substrate Determinants
Wulff, N., Ernst, H. A., Jørgensen, M. E., Lambertz, S., Maierhofer, T., Belew, Z. M., Crocoll, C., Motawia, M. S., Geiger, D., Jørgensen, F. S., Mirza, O. & Nour-Eldin, H. H., 3 Oct 2019, In: Frontiers in Plant Science. 10, 18 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile18 Citations (Scopus)144 Downloads (Pure) -
An Optimized Screen Reduces the Number of GA Transporters and provides Insights into NPF Substrate Determinants
Wulff, N., Ernst, H. A., Jørgensen, M. E., Lambertz, S., Maierhofer, T., Belew, Z. M., Crocoll, C., Motawia, M. S., Geiger, D., Jørgensen, F. S., Mirza, O. & Nour-Eldin, H. H., 2019, bioRxiv.Research output: Working paper › Preprint › Research
File9 Downloads (Pure) -
Both Reactivity and Accessibility Are Important in Cytochrome P450 Metabolism: A Combined DFT and MD Study of Fenamic Acids in BM3 Mutants
Leth, R., Ercig, B., Olsen, L. & Jørgensen, F. S., 25 Feb 2019, In: Journal of Chemical Information and Modeling. 59, 2, p. 743-753 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
14 Citations (Scopus) -
Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism
Montefiori, M., Lyngholm-Kjærby, C., Long, A., Olsen, L. & Jørgensen, F. S., 1 Jan 2019, In: Computational and Structural Biotechnology Journal. 17, p. 345-351 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile12 Citations (Scopus)64 Downloads (Pure) -
Molecular Dynamics Simulations Reveal the Proton:Peptide Coupling Mechanism in the Bacterial Proton-Coupled Oligopeptide Transporter YbgH
Aduri, N. G., Montefiori, M., Khalil, R., Gajhede, M., Jørgensen, F. S. & Mirza, O., 31 Jan 2019, In: ACS Omega. 4, 1, p. 2040-2046 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile3 Citations (Scopus)103 Downloads (Pure) -
SMARTCyp 3.0: enhanced cytochrome P450 site-of-metabolism prediction server
Olsen, L., Montefiori, M., Tran, K. P. & Jørgensen, F. S., 1 Sep 2019, In: Bioinformatics (Oxford, England). 35, 17, p. 3174-3175 2 p.Research output: Contribution to journal › Journal article › Research › peer-review
59 Citations (Scopus) -
Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol
Frydenvang, K., Verkade-Vreeker, M. C. A., Dohmen, F., Commandeur, J. N. M., Rafiq, M., Mirza, O., Jørgensen, F. S. & Geerke, D. P., 2019, In: PLoS ONE. 14, 5, 15 p., e0217292.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile6 Citations (Scopus)320 Downloads (Pure) -
2018
The anti-epileptic drug lamotrigine inhibits the CYP17A1 lyase reaction in vitro
Munkboel, C. H., Christensen, L. R., Islin, J., Bonomo, S., Olsen, L., Jorgensen, F. S. & Styrishave, B., Oct 2018, In: Biology of Reproduction. 99, 4, p. 888-897Research output: Contribution to journal › Journal article › Research › peer-review
3 Citations (Scopus) -
2017
Aldehyde Oxidase: Reaction Mechanism and Prediction of Site of Metabolism
Montefiori, M., Jorgensen, F. S. & Olsen, L., Aug 2017, In: ACS Omega. 2, 8, p. 4237-4244Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile35 Citations (Scopus)239 Downloads (Pure) -
Dissecting the Cytochrome P450 1A2- and 3A4-Mediated Metabolism of Aflatoxin B1 in Ligand and Protein Contributions
Bonomo, S., Jørgensen, F. S. & Olsen, L., 24 Feb 2017, In: Chemistry: A European Journal. 23, 12, p. 2884-2893 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
34 Citations (Scopus) -
Mechanism of Cytochrome P450 17A1-Catalyzed Hydroxylase and Lyase Reactions
Bonomo, S., Jørgensen, F. S. & Olsen, L., 22 May 2017, In: Journal of Chemical Information and Modeling. 57, 5, p. 1123-1133 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
25 Citations (Scopus) -
Structure-based optimisation of non-steroidal cytochrome P450 17A1 inhibitors
Larsen, M., Hansen, C. H., Rasmussen, T. B., Styrishave, B., Olsen, L. & Jørgensen, F. S., 28 Feb 2017, In: Chemical Communications. 53, 3118, 4 p., 3118.Research output: Contribution to journal › Journal article › Research › peer-review
7 Citations (Scopus) -
The low binding affinity of D-serine at the ionotropic glutamate receptor GluD2 can be attributed to the hinge region
Tapken, D., Steffensen, T. B., Leth, R., Kristensen, L. B., Gerbola, A., Gajhede, M., Jørgensen, F. S., Olsen, L. & Kastrup, J. S., 7 Apr 2017, In: Scientific Reports. 7, 12 p., 46145.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile17 Citations (Scopus)214 Downloads (Pure) -
2016
Cytochrome P450 Mediated Drug Metabolism
Olsen, L., Jørgensen, F. S. & Oostenbrink, C., 2016, New Horizons in Predictive Drug Metabolism and Pharmacokinetics. Wilson, A. G. E. (ed.). Cambridge: Royal Society of Chemistry, p. 66-78 13 p. (RSC Drug Discovery, Vol. 49).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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Enantioselective endocrine disrupting effects of omeprazole studied in the H295R cell assay and by molecular modeling
Sørensen, A. M., Hansen, C. H., Bonomo, S., Olsen, L., Jørgensen, F. S., Weisser, J. J., Kretschmann, A. C. & Styrishave, B., 19 Mar 2016, In: Toxicology in Vitro. 34, p. 71-80 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
13 Citations (Scopus) -
Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations
Capoferri, L., Leth, R., Ter Haar, E., Mohanty, A. K., Grootenhuis, P. D. J., Vottero, E., Commandeur, J. M. N., Vermeulen, N. P. E., Jørgensen, F. S., Olsen, L. & Geerke, D. P., Mar 2016, In: Proteins: Structure, Function, and Bioinformatics. 84, 3, p. 383-96 14 p.Research output: Contribution to journal › Journal article › Research › peer-review
28 Citations (Scopus) -
Promising Tools in Prostate Cancer Research: Selective Non-Steroidal Cytochrome P450 17A1 Inhibitors
Bonomo, S., Hansen, C. H., Petrunak, E. M., Scott, E. E., Styrishave, B., Jørgensen, F. S. & Olsen, L., 12 Jul 2016, In: Scientific Reports. 6, 11 p., 29468.Research output: Contribution to journal › Journal article › Research › peer-review
Open AccessFile44 Citations (Scopus)171 Downloads (Pure) -
2015
Density functional theory study on the formation of reactive benzoquinone imines by hydrogen abstraction
Leth, R., Rydberg, P., Jørgensen, F. S. & Olsen, L., 23 Mar 2015, In: Journal of Chemical Information and Modeling. 55, 3, p. 660-6 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
7 Citations (Scopus) -
Prediction of cytochrome P450 mediated metabolism
Olsen, L., Oostenbrink, C. & Jørgensen, F. S., 6 May 2015, In: Advanced Drug Delivery Reviews. 86, p. 61-71 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
81 Citations (Scopus) -
Salt-bridge Swapping in the EXXERFXYY Motif of Proton Coupled Oligopeptide Transporters
Aduri, N. G., Prabhala, B. K., Ernst, H. A., Jørgensen, F. S., Olsen, L. & Mirza, O., 2015, In: The Journal of Biological Chemistry. 290, 50, p. 29931-29940 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
23 Citations (Scopus) -
2014
Design of prodrugs targeting the intestinal di/tri‐peptide transporter hPEPT1 (SLC15A1
Omkvist, D. H., Nielsen, C. U., Steffansen, B., Larsen, S. B., Olsen, L., Jørgensen, F. S. & Brodin, B., 4 Apr 2014. 1 p.Research output: Contribution to conference › Conference abstract for conference › Research › peer-review
File1594 Downloads (Pure) -
Use of density functional theory in drug metabolism studies
Rydberg, P., Jørgensen, F. S. & Olsen, L., Feb 2014, In: Expert Opinion on Drug Metabolism & Toxicology. 10, 2, p. 215-27 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
25 Citations (Scopus) -
2012
A robust force field based method for calculating conformational energies of charged drug-like molecules
Pøhlsgaard, J., Harpsøe, K., Jørgensen, F. S. & Olsen, L., 2012, In: Journal of Chemical Information and Modeling. 52, 2, p. 409-419Research output: Contribution to journal › Journal article › Research › peer-review
5 Citations (Scopus) -
A steered molecular dynamics study of binding and translocation processes in the GABA transporter
Skovstrup, S., David, L., Taboureau, O. & Jørgensen, F. S., 2012, In: P L o S One. 7, 6, p. e39360Research output: Contribution to journal › Journal article › Research › peer-review
27 Citations (Scopus) -
hERG classification model based on a combination of support vector machine method and GRIND descriptors
Li, Q., Jørgensen, F. S., Oprea, T., Brunak, S. & Taboureau, O., 2012, In: Molecular Pharmaceutics. 5, 1, p. 117-127 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
74 Citations (Scopus) -
Prediction of pH-dependent aqueous solubility of druglike molecules
Hansen, N. T., Kouskoumvekaki, I., Jørgensen, F. S., Brunak, S. & Jónsdóttir, S. O., 2012, In: Journal of Chemical Information and Modeling. 46, 6, p. 2601-2609 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
70 Citations (Scopus) -
Synthesis and antiangiogenic activity of N-alkylated levamisole derivatives
Hansen, A. N., Bendiksen, C. D., Sylvest, L., Friis, T., Stærk, D., Jørgensen, F. S., Olsen, C. A. & Houen, G., 2012, In: P L o S One. 7, 9, 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
File8 Citations (Scopus)2222 Downloads (Pure) -
2011
G protein- and agonist-bound serotonin 5-HT2A receptor model activated by steered molecular dynamics simulations
Ísberg, V., Balle, T., Sander, T., Jørgensen, F. S. & Gloriam, D. E. I., 28 Feb 2011, In: Journal of Chemical Information and Modeling. 51, 2, p. 315-325Research output: Contribution to journal › Journal article › Research › peer-review
40 Citations (Scopus) -
Identification of CYP1A2 ligands by structure-based and ligand-based virtual screening
Poongavanam, V., Lastdrager, J., Oostenbrink, C., Commandeur, J. N. M., Vermeulen, N. P. E., Jørgensen, F. S. & Olsen, L., 2011, In: MedChemComm. 2, 9, p. 853-859Research output: Contribution to journal › Journal article › Research › peer-review
8 Citations (Scopus) -
In silico predictions of hERG channel blockers in drug discovery: from ligand-based and target-based approaches to systems chemical biology
Taboureau, O. & Jørgensen, F. S., Jun 2011, In: Combinatorial Chemistry & High Throughput Screening. 14, 5, p. 375-387Research output: Contribution to journal › Journal article › Research › peer-review
44 Citations (Scopus) -
2010
A diversity optimized combinatorial library for the identification of Fc-fragment binding ligands
Nielsen, A. L., Jørgensen, F. S., Olsen, L., Christensen, S. F., Benie, A. J., Bjørnholm, T. & St. Hilaire, P. M., 2010, In: Biopolymers. 94, 2, p. 192-205Research output: Contribution to journal › Journal article › Research › peer-review
3 Citations (Scopus) -
A quantitative structure-activity relationship for translocation of tripeptides via the human proton-coupled peptide transporter, hPEPT1 (SLC15A1)
Omkvist, D. H., Larsen, S. B., Nielsen, C. U., Steffansen, B., Olsen, L., Jørgensen, F. S. & Larsen, B. B., 2010, In: The AAPS Journal. 12, 3, p. 385-396Research output: Contribution to journal › Journal article › Research › peer-review
23 Citations (Scopus) -
Biostructure-based drug design
Jørgensen, F. S. & Kastrup, J. S., 2010, Textbook of drug design and discovery. Krogsgaard-Larsen, P., Strømgaard, K. & Madsen, U. (eds.). 4 ed. Boca Raton: CRC Press, p. 29-42Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Education
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Computational prediction of binding affinity for CYP1A2-ligand complexes using empirical free energy calculations
Poongavanam, V., Olsen, L., Jørgensen, F. S., Vermeulen, N. P. E. & Oostenbrink, C., 2010, In: Drug Metabolism and Disposition. 38, 8, p. 1347-1354Research output: Contribution to journal › Journal article › Research › peer-review
32 Citations (Scopus) -
Forbedret optagelse af lægemidler i organismen: computeren viser vejen
Larsen, S. B., Jørgensen, F. S. & Olsen, L., 2010, In: Dansk Kemi. 91, 6/7, p. 18-20Research output: Contribution to journal › Journal article › Research
Open AccessFile2027 Downloads (Pure) -
Homology modelling of the GABA transporter and analysis of tiagabine binding
Skovstrup, S., Taboureau, O., Bräuner-Osborne, H. & Jørgensen, F. S., 2010, In: ChemMedChem. 5, 7, p. 986-1000Research output: Contribution to journal › Journal article › Research › peer-review
46 Citations (Scopus) -
Mutational mapping and modeling of the binding site for (S)-citalopram in the human serotonin transporter
Andersen, J., Olsen, L., Hansen, K. B., Taboureau, O., Jørgensen, F. S., Jørgensen, A. M., Bang-Andersen, B., Egebjerg, J., Strømgaard, K. & Kristensen, A. S., 2010, In: Journal of Biological Chemistry. 285, 3, p. 2051-2063Research output: Contribution to journal › Journal article › Research › peer-review
85 Citations (Scopus)