Spectroscopic and molecular modeling study on the separate and simultaneous bindings of alprazolam and fluoxetine hydrochloride to human serum albumin (HSA): With the aim of the drug interactions probing

2015 ◽  
Vol 137 ◽  
pp. 1106-1119 ◽  
Author(s):  
Faeze Dangkoob ◽  
Mohmmad Reza Housaindokht ◽  
Ahmad Asoodeh ◽  
Omid Rajabi ◽  
Zeinab Rouhbakhsh Zaeri ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Drug Interactions ◽  
Human Serum ◽  
Fluoxetine Hydrochloride ◽  
Molecular Modeling Study ◽  
Modeling Study

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

2002 ◽  
Vol 4 (2) ◽  
pp. 45-50 ◽  
Author(s):  
Jozef Hritz ◽  
Jozef Ulicny ◽  
Pavol Miskovsky
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Hydrogen Bonds ◽  
Serum Albumin ◽  
Human Serum ◽  
Carbonyl Group ◽  
Structural Model ◽  
Hydroxyl Group ◽  
Molecular Modeling Study ◽  
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 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.

Recreational drugs 25I-NBOH and 25I-NBOMe bind to both Sudlow's sites I and II of Human Serum Albumin (HSA): Biophysical and molecular modeling studies

2021 ◽  
Author(s):  
Wellington Alves de Barros ◽  
Marina de Magalhães Silva ◽  
Maria Dayanne de Araújo Dantas ◽  
Josue Santos ◽  
Isis Figueiredo ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Modelling ◽  
Recreational Drugs ◽  
Modeling Studies ◽  
Molecular Modelling Studies ◽  
Modelling Studies ◽  
Molecular Modeling Studies

Experimental, biophysical, and molecular modelling studies between 25I-NBOH and 25I-NBOMe with human serum albumin (HSA) have indicated that these recreational drugs simultaneously bind to site I and II of the...

Molecular interaction of human serum albumin with paracetamol: Spectroscopic and molecular modeling studies

2009 ◽  
Vol 45 (2) ◽  
pp. 129-134 ◽  
Author(s):  
Parandis Daneshgar ◽  
Ali Akbar Moosavi-Movahedi ◽  
Parviz Norouzi ◽  
Mohammad Reza Ganjali ◽  
Armin Madadkar-Sobhani ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Interaction ◽  
Modeling Studies ◽  
Molecular Modeling Studies
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