Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study
Molecular modeling has been employed to study the interaction of hypericin (Hyp) with human serum albumin (HSA). The structural model for Hyp/HSA complex is presented. Our results indicate that Hyp is bound in II A subdomain of HSA close to the tryptophan 214 (Trp214) (distance 5.12 Å between the ce...
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| Format: | Article |
| Language: | English |
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Wiley
2002-01-01
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| Series: | International Journal of Photoenergy |
| Online Access: | http://dx.doi.org/10.1155/S1110662X02000089 |
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| _version_ | 1849683251814203392 |
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| author | Jozef Hritz Jozef Ulicny Pavol Miskovsky |
| author_facet | Jozef Hritz Jozef Ulicny Pavol Miskovsky |
| author_sort | Jozef Hritz |
| collection | DOAJ |
| description | Molecular modeling has been employed to study the interaction of hypericin (Hyp) with human
serum albumin (HSA). The structural model for Hyp/HSA complex is presented. Our results indicate that
Hyp is bound in II A subdomain of HSA close to the tryptophan 214 (Trp214) (distance 5.12 Å between the
centers of masses). In the presented model the carbonyl group of Hyp is hydrogen bonded to the Asn458.
Another two candidates for hydrogen bonds have been identified between the bay-region hydroxyl group of
Hyp and the carbonyl group of the Trp214 peptidic link and between the peri-region hydroxyl group of Hyp
and Asn458 carbonyl group. |
| format | Article |
| id | doaj-art-dbfb8860fa3046489aa4ed8b7f0d9655 |
| institution | DOAJ |
| issn | 1110-662X |
| language | English |
| publishDate | 2002-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Photoenergy |
| spelling | doaj-art-dbfb8860fa3046489aa4ed8b7f0d96552025-08-20T03:23:57ZengWileyInternational Journal of Photoenergy1110-662X2002-01-0142455010.1155/S1110662X02000089Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling studyJozef Hritz0Jozef Ulicny1Pavol Miskovsky2Department of Biophysics, P. J. Safarik University, Jesenna 5, Kosice 041 54, SlovakiaDepartment of Biophysics, P. J. Safarik University, Jesenna 5, Kosice 041 54, SlovakiaDepartment of Biophysics, P. J. Safarik University, Jesenna 5, Kosice 041 54, SlovakiaMolecular modeling has been employed to study the interaction of hypericin (Hyp) with human serum albumin (HSA). The structural model for Hyp/HSA complex is presented. Our results indicate that Hyp is bound in II A subdomain of HSA close to the tryptophan 214 (Trp214) (distance 5.12 Å between the centers of masses). In the presented model the carbonyl group of Hyp is hydrogen bonded to the Asn458. Another two candidates for hydrogen bonds have been identified between the bay-region hydroxyl group of Hyp and the carbonyl group of the Trp214 peptidic link and between the peri-region hydroxyl group of Hyp and Asn458 carbonyl group.http://dx.doi.org/10.1155/S1110662X02000089 |
| spellingShingle | Jozef Hritz Jozef Ulicny Pavol Miskovsky Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study International Journal of Photoenergy |
| title | Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study |
| title_full | Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study |
| title_fullStr | Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study |
| title_full_unstemmed | Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study |
| title_short | Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study |
| title_sort | interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin molecular modeling study |
| url | http://dx.doi.org/10.1155/S1110662X02000089 |
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