PMID- 33120936 OWN - NLM STAT- MEDLINE DCOM- 20210329 LR - 20231112 IS - 1420-3049 (Electronic) IS - 1420-3049 (Linking) VI - 25 IP - 21 DP - 2020 Oct 27 TI - Unraveling the Antioxidant, Binding and Health-Protecting Properties of Phenolic Compounds of Beers with Main Human Serum Proteins: In Vitro and In Silico Approaches. LID - 10.3390/molecules25214962 [doi] LID - 4962 AB - Our recently published in vivo studies and growing evidence suggest that moderate consumption of beer possesses several health benefits, including antioxidant and cardiovascular effects. Although beer contains phenolic acids and flavonoids as the major composition, and upon consumption, the levels of major components increase in the blood, there is no report on how these beer components interact with main human serum proteins. Thus, to address the interaction potential between beer components and human serum proteins, the present study primarily aims to investigate the components of beer from different industrial sources as well as their mode of interaction through in silico analysis. The contents of the bioactive compounds, antioxidant capacities and their influence on binding properties of the main serum proteins in human metabolism (human serum albumin (HSA), plasma circulation fibrinogen (PCF), C-reactive protein (CRP) and glutathione peroxidase 3 (GPX3)) were studied. In vitro and in silico studies indicated that phenolic substances presented in beer interact with the key regions of the proteins to enhance their antioxidant and health properties. We hypothesize that moderate consumption of beer could be beneficial for patients suffering from coronary artery disease (CAD) and other health advantages by regulating the serum proteins. FAU - Shafreen, Raja Mohamed Beema AU - Shafreen RMB AD - Department of Biotechnology, Alagappa University, Science Campus, Karaikudi, Tamil Nadu 630003, India. FAU - Lakshmi, Selvaraj Alagu AU - Lakshmi SA AD - Department of Biotechnology, Alagappa University, Science Campus, Karaikudi, Tamil Nadu 630003, India. FAU - Pandian, Shunmugiah Karutha AU - Pandian SK AD - Department of Biotechnology, Alagappa University, Science Campus, Karaikudi, Tamil Nadu 630003, India. FAU - Park, Yong Seo AU - Park YS AD - Department of Horticultural Science, Mokpo National University, Muan, Jeonnam 534-729, Korea. FAU - Kim, Young Mo AU - Kim YM AD - Department of Food Nutrition, Gwangju Health University, Gwangsan-gu, Gwangju 506-723, Korea. FAU - Pasko, Pawel AU - Pasko P AD - Department of Food Chemistry and Nutrition, Jagiellonian University Medical College, Krakow 30-688, Poland. FAU - Deutsch, Joseph AU - Deutsch J AD - Institute for Drug Research, School of Pharmacy, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112001, Israel. FAU - Katrich, Elena AU - Katrich E AD - Institute for Drug Research, School of Pharmacy, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112001, Israel. FAU - Gorinstein, Shela AU - Gorinstein S AUID- ORCID: 0000-0002-0621-8305 AD - Institute for Drug Research, School of Pharmacy, Faculty of Medicine, The Hebrew University of Jerusalem, Jerusalem 9112001, Israel. LA - eng PT - Journal Article DEP - 20201027 PL - Switzerland TA - Molecules JT - Molecules (Basel, Switzerland) JID - 100964009 RN - 0 (Antioxidants) RN - 0 (Blood Proteins) RN - 0 (Phenols) SB - IM MH - Antioxidants/analysis/metabolism MH - Beer/*analysis MH - Blood Proteins/chemistry/*metabolism MH - *Computer Simulation MH - *Health MH - Humans MH - Molecular Docking Simulation MH - Phenols/*analysis/*metabolism MH - Protein Binding MH - Protein Conformation PMC - PMC7663678 OTO - NOTNLM OT - antioxidants OT - beer OT - binding OT - docking OT - health properties OT - phenolic compounds COIS- The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. EDAT- 2020/10/31 06:00 MHDA- 2021/03/30 06:00 PMCR- 2020/10/27 CRDT- 2020/10/30 01:01 PHST- 2020/09/20 00:00 [received] PHST- 2020/10/21 00:00 [revised] PHST- 2020/10/22 00:00 [accepted] PHST- 2020/10/30 01:01 [entrez] PHST- 2020/10/31 06:00 [pubmed] PHST- 2021/03/30 06:00 [medline] PHST- 2020/10/27 00:00 [pmc-release] AID - molecules25214962 [pii] AID - molecules-25-04962 [pii] AID - 10.3390/molecules25214962 [doi] PST - epublish SO - Molecules. 2020 Oct 27;25(21):4962. doi: 10.3390/molecules25214962.