International Journal of Photoenergy

International Journal of Photoenergy / 2002 / Article

Open Access

Volume 4 |Article ID 373949 | https://doi.org/10.1155/S1110662X02000089

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, vol. 4, Article ID 373949, 6 pages, 2002. https://doi.org/10.1155/S1110662X02000089

Interaction of a new antiviral and antitumor photosensitizer hypericin with human serum albumin: molecular modeling study

Abstract

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.

Copyright © 2002 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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