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Designing of enzyme inhibitors based on active site specificity: lessons from methyl gallate and its lipoxygenase inhibitory profile.
J Recept Signal Transduct Res 2018; 38(3):256-265JR

Abstract

Methyl gallate was purified, by lipoxygenase (LOX) inhibitory activity-guided method since its alleged anti-inflammatory property, from Bergenia ligulata (Wall), a plant used in the traditional, Ayurvedic system of medicine extensively. The LOX inhibitory property of methyl gallate was studied by enzyme kinetics, isothermal titration calorimetry and molecular docking followed by molecular simulation studies. The wet-laboratory experiments and in silico studies showed complete agreement, and promise of methyl gallate as a drug-lead molecular scaffold for anti-inflammatory therapy, based on LOX inhibition. The expressed work shows the need of nonactive site binding parameters to be considered while designing of inhibitors based on the specificities toward active sites of enzymes.

Authors+Show Affiliations

a Inter University Centre for Bioscience and Department of Biotechnology & Microbiology , Kannur University , Thalassery Campus , Palayad, India.a Inter University Centre for Bioscience and Department of Biotechnology & Microbiology , Kannur University , Thalassery Campus , Palayad, India.a Inter University Centre for Bioscience and Department of Biotechnology & Microbiology , Kannur University , Thalassery Campus , Palayad, India.a Inter University Centre for Bioscience and Department of Biotechnology & Microbiology , Kannur University , Thalassery Campus , Palayad, India.a Inter University Centre for Bioscience and Department of Biotechnology & Microbiology , Kannur University , Thalassery Campus , Palayad, India.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

29847215

Citation

C S, Sharanya, et al. "Designing of Enzyme Inhibitors Based On Active Site Specificity: Lessons From Methyl Gallate and Its Lipoxygenase Inhibitory Profile." Journal of Receptor and Signal Transduction Research, vol. 38, no. 3, 2018, pp. 256-265.
C S S, K G A, V V, et al. Designing of enzyme inhibitors based on active site specificity: lessons from methyl gallate and its lipoxygenase inhibitory profile. J Recept Signal Transduct Res. 2018;38(3):256-265.
C S, S., K G, A., V, V., A, S., & M, H. (2018). Designing of enzyme inhibitors based on active site specificity: lessons from methyl gallate and its lipoxygenase inhibitory profile. Journal of Receptor and Signal Transduction Research, 38(3), pp. 256-265. doi:10.1080/10799893.2018.1478856.
C S S, et al. Designing of Enzyme Inhibitors Based On Active Site Specificity: Lessons From Methyl Gallate and Its Lipoxygenase Inhibitory Profile. J Recept Signal Transduct Res. 2018;38(3):256-265. PubMed PMID: 29847215.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Designing of enzyme inhibitors based on active site specificity: lessons from methyl gallate and its lipoxygenase inhibitory profile. AU - C S,Sharanya, AU - K G,Arun, AU - V,Vijaytha, AU - A,Sabu, AU - M,Haridas, Y1 - 2018/05/30/ PY - 2018/5/31/pubmed PY - 2018/10/27/medline PY - 2018/5/31/entrez KW - Methyl gallate KW - isothermal titration calorimetry KW - lipoxygenase inhibition KW - molecular dynamics SP - 256 EP - 265 JF - Journal of receptor and signal transduction research JO - J. Recept. Signal Transduct. Res. VL - 38 IS - 3 N2 - Methyl gallate was purified, by lipoxygenase (LOX) inhibitory activity-guided method since its alleged anti-inflammatory property, from Bergenia ligulata (Wall), a plant used in the traditional, Ayurvedic system of medicine extensively. The LOX inhibitory property of methyl gallate was studied by enzyme kinetics, isothermal titration calorimetry and molecular docking followed by molecular simulation studies. The wet-laboratory experiments and in silico studies showed complete agreement, and promise of methyl gallate as a drug-lead molecular scaffold for anti-inflammatory therapy, based on LOX inhibition. The expressed work shows the need of nonactive site binding parameters to be considered while designing of inhibitors based on the specificities toward active sites of enzymes. SN - 1532-4281 UR - https://www.unboundmedicine.com/medline/citation/29847215/Designing_of_enzyme_inhibitors_based_on_active_site_specificity:_lessons_from_methyl_gallate_and_its_lipoxygenase_inhibitory_profile L2 - http://www.tandfonline.com/doi/full/10.1080/10799893.2018.1478856 DB - PRIME DP - Unbound Medicine ER -