Mechanistic competitive binding interaction study between olmutinib and colchicine with model transport protein using spectroscopic and computer simulation approaches

2022 ◽  
pp. 113794
Author(s):  
Tanveer A. Wani ◽  
Ahmed H. Bakheit ◽  
Seema Zargar ◽  
Salman Alamery
Keyword(s):  
Computer Simulation ◽  
Transport Protein ◽  
Competitive Binding ◽  
Interaction Study ◽  
Binding Interaction

Binding interaction of potent HIV-1 NNRTIs, amino-oxy-diarylquinoline with the transport protein using spectroscopic and molecular docking

2020 ◽  
Vol 233 ◽  
pp. 118159
Author(s):  
Suwicha Patnin ◽  
Arthit Makarasen ◽  
Mayuso Kuno ◽  
Sirinya Deeyohe ◽  
Supanna Techasakul ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Transport Protein ◽  
Binding Interaction ◽  
Hiv 1

scholarly journals Competitive Binding of Poly- and Perfluorinated Compounds to the Thyroid Hormone Transport Protein Transthyretin

2009 ◽  
Vol 109 (2) ◽  
pp. 206-216 ◽  
Author(s):  
Jana M. Weiss ◽  
Patrik L. Andersson ◽  
Marja H. Lamoree ◽  
Pim E. G. Leonards ◽  
Stefan P. J. van Leeuwen ◽  
...  
Keyword(s):  
Thyroid Hormone ◽  
Perfluorinated Compounds ◽  
Transport Protein ◽  
Competitive Binding ◽  
Hormone Transport

scholarly journals IN SILICO BINDING INTERACTION STUDY OF MEFENAMIC ACID AND PIROXICAM ON HUMAN ALBUMIN

2017 ◽  
Vol 9 ◽  
pp. 102
Author(s):  
Joshita Djajadisastra ◽  
Hamka Decky Purnama ◽  
Arry Yanuar
Keyword(s):  
Molecular Docking ◽  
Mefenamic Acid ◽  
Free Fraction ◽  
Human Albumin ◽  
Binding Energies ◽  
Interaction Study ◽  
Binding Interaction ◽  
Knowing That ◽  
Pharmacological Response ◽  
Binding Position

Objective: A drug can replace other drugs in the same binding position in protein plasma, increasing pharmacological response due to the increasedfree drug concentration. Drug shifting is critical when a compound is tightly bound to a protein. For example, a binding fraction change, from 98% to94%, may increase the free fraction 3 times, from 2% to 6%. Knowing that there is an interaction between mefenamic acid and piroxicam on plasmaprotein, more specifically on human albumin, this study aimed to visualize the interaction between both drugs and human albumin in silico.Methods: This study used AutoDock4 as a molecular docking technique, obtaining binding visualizations, binding energies (ΔG), and inhibitionconstants (Ki) of both mefenamic acid-albumin and piroxicam-albumin bindings.Results: It is shown that the ΔG and Ki of both mefenamic acid and piroxicam are −5.47 kcal/mol (98.59 μM) and −7.46 kcal/mol (3.42 μM), respectively.Conclusions: The process of binding mefenamic acid to albumin can be substituted with piroxicam due to its higher ΔG and Ki values. It can bepredicted that this interaction will increase the free mefenamic acid concentration in blood plasma which, in turn, enhances the therapeutic effect.

Antihypertensive activity of a quinoline appended chalcone derivative and its site specific binding interaction with a relevant target carrier protein

RSC Advances ◽  
2015 ◽  
Vol 5 (80) ◽  
pp. 65496-65513 ◽  
Author(s):  
Himank Kumar ◽  
Vinod Devaraji ◽  
Ritika Joshi ◽  
Manojkumar Jadhao ◽  
Piyush Ahirkar ◽  
...  
Keyword(s):  
Therapeutic Target ◽  
Specific Binding ◽  
Transport Protein ◽  
Clear Picture ◽  
Antihypertensive Activity ◽  
Carrier Protein ◽  
Binding Interaction ◽  
Site Specific ◽  
Chalcone Derivative ◽  
Delivery Mechanism

The usefulness of heterocyclic chalcone derivative as a therapeutic target in controlling hypertension and its site specific binding interaction with model transport protein to get a clear picture about its delivery mechanism.

Binding interaction study on human serum albumin with bactericidal gold nanoparticles synthesized from a leaf extract ofMusa balbisiana: a multispectroscopic approach

Luminescence ◽  
2019 ◽  
Vol 34 (6) ◽  
pp. 563-575 ◽  
Author(s):  
Anukul Maji ◽  
Maidul Beg ◽  
Somnath Das ◽  
Nandan Kumar Sahoo ◽  
Pradeep K. Jha ◽  
...  
Keyword(s):  
Gold Nanoparticles ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Leaf Extract ◽  
Interaction Study ◽  
Binding Interaction
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