Whey-derived peptides interactions with ACE by molecular docking as a potential predictive tool of natural ACE inhibitors

Several milk/whey derived peptides possess high in vitro angiotensin I-converting enzyme (ACE) inhibitory activity. However, in some cases, poor correlation between the in vitro ACE inhibitory activity and the in vivo antihypertensive activity has been observed. The aim of this study is to gain insight into the structure-activity relationship of peptide sequences present in whey/milk protein hydrolysates with high ACE inhibitory activity, which could lead to a better understanding and prediction of their in vivo antihypertensive activity. The potential interactions between peptides produced from whey proteins, previously reported as high ACE inhibitors such as IPP, LIVTQ, IIAE, LVYPFP, and human ACE were assessed using a molecular docking approach. The results show that peptides IIAE, LIVTQ, and LVYPFP formed strong H bonds with the amino acids Gln 259, His 331, and Thr 358 in the active site of the human ACE. Interestingly, the same residues were found to form strong hydrogen bonds with the ACE inhibitory drug Sampatrilat. Furthermore, peptides IIAE and LVYPFP interacted with the amino acid residues Gln 259 and His 331, respectively, also in common with other ACE-inhibitory drugs such as Captopril, Lisinopril and Elanapril. Additionally, IIAE interacted with the amino acid residue Asp 140 in common with Lisinopril, and LIVTQ interacted with Ala 332 in common with both Lisinopril and Elanapril. The peptides produced naturally from whey by enzymatic hydrolysis interacted with residues of the human ACE in common with potent ACE-inhibitory drugs which suggests that these natural peptides may be potent ACE inhibitors

Co-Teaching: A Win-Win Situation for All

Eleven studies looking at the benefits of co-teaching for everyone involved, including all students, teachers, and administration. Also, the key strategies to consider to have a successful co-teaching experience

Titanocene anticancer complexes and their binding mode of action to human serum albumin: a computational study

Due to the pivotal role played by human serum albumin (HSA) in the transport and cytotoxicity of titanocene complexes, a docking study has been performed on a selected set of titanocene complexes to aid in the current understanding of the potential mode of action of these titanocenes upon binding HSA. Analysis of the docking results has revealed potential binding at the known drug binding sites in HSA and has provided some explanation for the specificity and subsequent cytotoxicity of these titanocenes. Additionally, a new alternative binding site for these titanocenes has been postulated

Social sacrifice : creativity stifled by control

Title from PDF of title page (University of Missouri--Columbia, viewed on Aug. 24, 2010).The entire thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file; a non-technical public abstract appears in the public.pdf file.Thesis advisor: Deborah Huelsbergen, Chairperson of Supervisory Committee.Vita.M.F.A. University of Missouri--Columbia 2010.My thesis centers on the idea of "societal control that results in stifled creativity within an individual". We begin life able to playfully express imaginative ideas until our ideas are judged and we start to question ourselves. Over time these influences condition us, to a point that inhibits our creative thought process. In my images, water symbolizes "control". Water is a dominating variable that can continuously change situations and parallels societal conformity. Printing the images with the Tri-Color Gum Bi Chromate process further expresses my thesis because of the unpredictable nature of the process. The nature of this medium allows tremendous creative freedom, and the "dreamlike" quality of the prints resembles the functioning of our creative sub-conscious. The ambiguity of the imagery intrigues the viewer, leaving the prints open for contemplation, interpretation and ultimately understanding the creative individual that resides in all of us, despite the controlling forces that govern us. My hope is that these prints will alert others of society's constraints against their creative potential. Ultimately, this awareness should make all of us less critical and more open to creativity and inventive problem solving.Includes bibliographical reference

Preliminary X-ray diffraction analysis of YqjH from Escherichia coli: a putative cytoplasmic ferri-siderophore reductase

YqjH is a cytoplasmic FAD-containing protein from Escherichia coli; based on homology to ViuB of Vibrio cholerae, it potentially acts as a ferri-siderophore reductase. This work describes its overexpression, purification, crystallization and structure solution at 3.0 A resolution. YqjH shares high sequence similarity with a number of known siderophore-interacting proteins and its structure was solved by molecular replacement using the siderophore-interacting protein from Shewanella putrefaciens as the search model. The YqjH structure resembles those of other members of the NAD(P)H:flavin oxidoreductase superfamily

Classroom management coaching as a means to transform inequitable school wide discipline practices: perspectives of school administration, coaches, and teachers

African American students are suspended and expelled from school at frightening rates. In many instances, they are disciplined for actions that could be addressed with measures other than exclusionary discipline practices. Punitive discipline practices place students on a path to incarceration and does not actually correct student behavior. This sequence is known as the School to Prison Pipeline. This research study focuses on classroom management coaching and ongoing teacher development as a strategy for reducing teacher dependency on punitive discipline by teaching proactive measures of student behavior management. Qualitative research methods are used to examine the perspectives of administrators, coaches, and teachers regarding the costs and benefits of coaching and ongoing teacher development in an urban school district. Administrators, coaches, and teachers agree that the benefits of coaching and ongoing teacher coaching outweigh the costs. Student discipline referrals and out of school suspension rates declined significantly over the years that classroom management coaching was implemented. While classroom management coaching and ongoing teacher development are effective practices to improve school wide behavior, there remains a need to provide development in the areas of culturally relevant approaches to student engagement. Color blind approaches to student behavior management do not address racism as the root of disproportionate discipline practices. Therefore, the problem with using excessive discipline for African American students is not being rectified.

The Evolution of Elderly Telehealth and Health Informatics

Many elderly individuals experience memory loss and often dementia as they age. This causes problems for the elderly due to diminished skills and increase in medical problems and natural decline. The Veterans Health Administration (VHA) introduced a national home telehealth program, Care Coordination/Home Telehealth (CCHT). Its purpose was to coordinate the care of veteran patients with chronic conditions and avoid their unnecessary admission to long-term institutional care. Such programs are cost-effective. Long-term care insurance companies are likely to cover these services. Home care and nursing home corporations are following the VHA’s lead. We have recently witnessed significant advances in technology. Internet and mobile applications have opened a new world, providing information and opportunities for individuals to learn more information about illness and at a much faster rate. Smart home technology has evolved. Elderly patients often encounter difficulties using these technologies. Despite the advances in telehealth and telemedicine and the evolution of the technology, many individuals cannot afford the treatment or the technology. These same individuals and families are part of the digital divide, and they have not embraced the new technology. Federal programs have been developed and implemented to help this portion of the population

Measuring the implications of Vicarious Liability under the Protection of Personal Information Act in Small, Medium and Micro Enterprises in South Africa

Protecting personal information has become of utmost importance in the digital age. The South African Protection of Personal Information Act has in some ways given the customer more control over how companies can contact them or sell their information to third parties. While this Act is in the best interests of both consumers and businesses in South Africa, there has been concern about how it is to be implemented, and many businesses have not yet introduced procedures to ensure compliance. Particular aspects of the Act make it unlike other legislation that inspired it. The vicarious liability clause specifies the employer as the party responsible should any breach be made by an employee within the company. Many researchers and those who work with the law find this clause particularly divisive, leaving little room for employers to prove they have made adequate changes and educate colleagues on new processes. Those who lack resources, specifically small, medium, and micro enterprises (SMMEs), are particularly at risk. This study surveys a sample of attitudes towards vicarious liability, and investigates processes that have been changed as a result of the Act within an SMME workplace in the Western Cape region. The results of the study demonstrate that while some employees claimed their colleagues were educated thoroughly, many were not aware of the consequences of vicarious liability, nor did they understand how it worked. There were clear apprehensions regarding general awareness of the Act on the part of both businesses and the general public. Many SMMEs are in the process of developing new standard operating procedures in the wake of this legislation, but there is still notable concern that there will not be enough time or resources to effect these changes. Further research needs to be done to recognise the challenges that smaller companies face as privacy policies continue to develop in South Africa. The country faces a unique set of challenges that cannot be compared to the socio-economic situation of the developing world

GRID and docking analyses reveal a molecular basis for flavonoid inhibition of src-family kinase activity

Flavonoids reduce cardiovascular disease risk through anti-inflammatory, anti-coagulant and anti-platelet actions. One key flavonoid inhibitory mechanism is blocking kinase activity that drives these processes. Flavonoids attenuate activities of kinases including phosphoinositide-3-kinase (PI3K), Fyn, Lyn, Src, Syk, PKC, PIM1/2, ERK, JNK, and PKA. X-ray crystallographic analyses of kinase-flavonoid complexes show that flavonoid ring systems and their hydroxyl substitutions are important structural features for their binding to kinases. A clearer understanding of structural interactions of flavonoids with kinases is necessary to allow construction of more potent and selective counterparts. We examined flavonoid (quercetin, apigenin and catechin) interactions with Src-family kinases (Lyn, Fyn and Hck) applying the Sybyl docking algorithm and GRID. A homology model (Lyn) was used in our analyses to demonstrate that high quality predicted kinase structures are suitable for flavonoid computational studies. Our docking results revealed potential hydrogen bond contacts between flavonoid hydroxyls and kinase catalytic site residues. Identification of plausible contacts indicated that quercetin formed the most energetically stable interactions, apigenin lacked hydroxyl groups necessary for important contacts, and the non-planar structure of catechin could not support predicted hydrogen bonding patterns. GRID analysis using a hydroxyl functional group supported docking results. Based on these findings, we predicted that quercetin would inhibit activities of Src-family kinases with greater potency than apigenin and catechin. We validated this prediction using in vitro kinase assays. We conclude that our study can be used as a basis to construct virtual flavonoid interaction libraries to guide drug discovery using these compounds as molecular templates