scholarly journals Molecular modelling studies unveil potential binding sites on human serum albumin for selected experimental and in silico COVID-19 drug candidate molecules

2021 ◽  
Author(s):  
Arun Bahadur Gurung ◽  
Mohammad Ajmal Ali ◽  
Joongku Lee ◽  
Mohammad Abul Farah ◽  
Khalid Mashay Al-Anazi ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Modelling ◽  
Binding Sites ◽  
In Silico ◽  
Drug Candidate ◽  
Potential Binding ◽  
Molecular Modelling Studies ◽  
Modelling Studies

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...

Insights into the binding of thiosemicarbazone derivatives with human serum albumin: spectroscopy and molecular modelling studies

2015 ◽  
Vol 34 (6) ◽  
pp. 1264-1281 ◽  
Author(s):  
Subramani Karthikeyan ◽  
Ganesan Bharanidharan ◽  
Manish Kesherwani ◽  
Karthik Ananth Mani ◽  
Narasimhan Srinivasan ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Modelling ◽  
Molecular Modelling Studies ◽  
Modelling Studies

scholarly journals Quantum molecular modelling of ibuprofen bound to human serum albumin

RSC Advances ◽  
2015 ◽  
Vol 5 (61) ◽  
pp. 49439-49450 ◽  
Author(s):  
Diego S. Dantas ◽  
Jonas I. N. Oliveira ◽  
José X. Lima Neto ◽  
Roner F. da Costa ◽  
Eveline M. Bezerra ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Molecular Modelling ◽  
Binding Sites ◽  
Binding Pocket ◽  
Interaction Energies ◽  
Total Interaction

The total interaction energies of the ibuprofen complexed with FA3/FA4 and FA6 binding sites of human serum albumin are in agreement with the hypothesis that the Sudlow's site II is the main binding pocket for ibuprofen.

Nof2206Probing the interaction of memantine, an important Alzheimer's drug, with human serum albumin: In silico and In vitro approach

2021 ◽  
pp. 116888
Author(s):  
Fahad A. Alhumaydhi ◽  
Mohammad Abdullah Aljasir ◽  
Abdullah S.M. Aljohani ◽  
Suliman A. Alsagaby ◽  
Ameen S.S. Alwashmi ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
In Silico

Biophysical and in silico investigations of the molecular association between a potent RNA polymerase inhibitor, thiolutin and human serum albumin

2020 ◽  
Vol 303 ◽  
pp. 112648 ◽  
Author(s):  
Md. Zahirul Kabir ◽  
Zineddine Benbekhti ◽  
Nor Farrah Wahidah Ridzwan ◽  
Rabiâa Merrouche ◽  
Noureddine Bouras ◽  
...  
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Rna Polymerase ◽  
Human Serum ◽  
In Silico ◽  
Molecular Association ◽  
Polymerase Inhibitor

Zinc–human serum albumin association: testimony of two binding sites

Talanta ◽  
2004 ◽  
Vol 63 (2) ◽  
pp. 503-508 ◽  
Author(s):  
C. André ◽  
Y.C. Guillaume
Keyword(s):  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Binding Sites
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