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


Joshita Djajadisastra, Hamka Decky Purnama, Arry Yanuar

Abstract


Objective: A drug can replace other drugs in the same binding position in protein plasma, increasing pharmacological response due to the increased
free drug concentration. Drug shifting is critical when a compound is tightly bound to a protein. For example, a binding fraction change, from 98% to
94%, may increase the free fraction 3 times, from 2% to 6%. Knowing that there is an interaction between mefenamic acid and piroxicam on plasma
protein, 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 inhibition
constants (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 be
predicted that this interaction will increase the free mefenamic acid concentration in blood plasma which, in turn, enhances the therapeutic effect.


Keywords


Albumin, Mefenamic acid, Piroxicam, Molecular docking.

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References


Djajadisastra J, et al. Determination of parameter values of protein

binding of mefenamic acid and piroxicam as the possibility of

interaction of both drugs using equilibrium dialysis method. Congress

ISFI XIV Bali 2005. p. 16-19.

Bourne PE, Addess KJ, Bluhm WF, Chen L, Deshpande N, Feng Z,

et al. The distribution and query systems of the RCSB protein data

bank. Nucleic Acids Res 2004;32 Database issue: D223-5.

Morris GM, Huey R, Lindstrom W, Sanner MF, Belew RK, Goodsell DS,

et al. AutoDock4 and AutoDockTools4: Automated docking with

selective receptor flexibility. J Comput Chem 2009;30(16):2785-91.

Sotriffer CA, Flader W, Winger RH, Rode BM, Liedl KR, Varga JM.

Automated docking of ligands to antibodies: Methods and applications.

Methods 2000;20(3):280-91.

Fitriana W. Penambatan molekuler sitokrom isoform 2c9 dengan

fenitoin dan simetidin (Skripsi). Depok: FMIPA UI; 2009. p. 35, 36, 41,

, 450.

Westbrook J, Feng Z, Jain S, Bhat TN, Thanki N, Ravichandran V,

et al. The protein data bank: Unifying the archive. Nucleic Acids Res

;30(1):245-8.

Deshpande N, Addess KJ, Bluhm WF, Merino-Ott JC, Townsend-

Merino W, Zhang Q, et al. The RCSB protein data bank: A redesigned

query system and relational database based on the mmCIF schema.

Nucleic Acids Res 2005;33 Database issue: D233-7.

Bhat TN, Bourne P, Feng Z, Gilliland G, Jain S, Ravichandran V, et al.

The PDB data uniformity project. Nucleic Acids Res 2001;29(1):214-8.




About this article

Title

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

Keywords

Albumin, Mefenamic acid, Piroxicam, Molecular docking.

DOI

10.22159/ijap.2017.v9s1.56_62

Date

30-10-2017

Additional Links

Manuscript Submission

Journal

International Journal of Applied Pharmaceutics
Vol. 9, Special Issue (Oct.), 2017 [PTMDS 2017] Page: 102-106

Online ISSN

0975-7058

Statistics

11 Views | 20 Downloads

Authors & Affiliations

Joshita Djajadisastra
Department of Pharmacy, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia

Hamka Decky Purnama
Department of Pharmacy, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia

Arry Yanuar
Department of Pharmacy, Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia
Indonesia


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