Spectrofluorometric and molecular docking studies on the binding of curcumenol and curcumenone to human serum albumin

International Journal of Molecular Sciences
Omer Abdalla Ahmed HamdiKhalijah Awang

Abstract

Curcumenol and curcumenone are two major constituents of the plants of medicinally important genus of Curcuma, and often govern the pharmacological effect of these plant extracts. These two compounds, isolated from C. zedoaria rhizomes were studied for their binding to human serum albumin (HSA) using the fluorescence quench titration method. Molecular docking was also performed to get a more detailed insight into their interaction with HSA at the binding site. Additions of these sesquiterpenes to HSA produced significant fluorescence quenching and blue shifts in the emission spectra of HSA. Analysis of the fluorescence data pointed toward moderate binding affinity between the ligands and HSA, with curcumenone showing a relatively higher binding constant (2.46 × 105 M-1) in comparison to curcumenol (1.97 × 104 M-1). Cluster analyses revealed that site I is the preferred binding site for both molecules with a minimum binding energy of -6.77 kcal·mol-1. However, binding of these two molecules to site II cannot be ruled out as the binding energies were found to be -5.72 and -5.74 kcal·mol-1 for curcumenol and curcumenone, respectively. The interactions of both ligands with HSA involved hydrophobic interactions as well as hydrogen b...Continue Reading

References

Jan 1, 1994·Advances in Protein Chemistry·D C Carter, J X Ho
Jan 1, 1996·Journal of Molecular Recognition : JMR·D S GoodsellA J Olson
Dec 30, 1998·Journal of Natural Products·W J SyuC M Sun
Jan 19, 1999·Inflammation Research : Official Journal of the European Histamine Research Society ... [et Al.]·T YoshiokaT Muraki
Dec 11, 1999·Nucleic Acids Research·H M BermanP E Bourne
Sep 12, 2002·Phytomedicine : International Journal of Phytotherapy and Phytopharmacology·D de Fátima NavarroV Cechinel Filho
Nov 5, 2002·Journal of Molecular Graphics & Modelling·Alessandro PedrettiGiulio Vistoli
Apr 26, 2005·Journal of Ethnopharmacology·B WilsonB Nambisan
Aug 12, 2006·Natural Product Research·H MakabeM Hirota
Dec 2, 2008·Chemical & Pharmaceutical Bulletin·Fengming XuMasayuki Yoshikawa
May 13, 2010·Natural Product Research·Mohd Aspollah SukariTaufiq-Yap Yun Hin
Jul 27, 2010·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Aurica Varlan, Mihaela Hillebrand
Sep 29, 2011·International Journal of Molecular Sciences·Maoyong SongHailin Wang
Dec 27, 2011·European Journal of Medicinal Chemistry·A BelatikH A Tajmir-Riahi
May 26, 2012·Journal of Agricultural and Food Chemistry·Shevin R FerozSaad Tayyab
Mar 4, 2014·International Journal of Molecular Sciences·Feng YangHong Liang
Aug 16, 2014·TheScientificWorldJournal·Omer Abdalla Ahmed HamdiSri Nurestri Abd Malek

❮ Previous
Next ❯

Citations

Jun 17, 2019·European Biophysics Journal : EBJ·Vladislav Victorovich KhrustalevTatyana Aleksandrovna Khrustaleva
Jun 4, 2020·International Journal of Molecular Sciences·Monika JarosiewiczBożena Bukowska
Jul 8, 2020·International Journal of Molecular Sciences·Xiaomin YangSandrine Lacombe
Apr 24, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Khrustalev Vladislav VictorovichAkunevich Anastasia Aleksandrovna
Jun 8, 2021·Nutrition Research and Practice·Ki Mo KimSungwook Chae

❮ Previous
Next ❯

Methods Mentioned

BETA
fluorescence spectroscopy
fluorescence

Software Mentioned

LS
ChemSketch Freeware
MOPAC script
PRECISE
GEO
MMOK
AutoDockTools
OK
VegaZZ
AutoDock

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.