Prevalence of red blood cell alloantibodies in healthy blood donors: A retrospective study
- Authors: Bada, Thandolwethu Sarafina
- Date: 2024-04
- Subjects: Blood--Transfusion , Blood donors , Red blood cell alloantibodies
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10948/63688 , vital:73586
- Description: Background: Blood transfusion is one of the essential supporting therapies in the management of patients and all efforts must be geared towards ensuring greater blood safety. There are studies on the prevalence of red blood cell alloantibodies in numerous transfused patients. However, no research has been done on the population of healthy first-time donors in South Africa who donates blood for transfusion. Red blood cell alloantibodies may be present in the donated units and potentially lead to transfusion reactions or to decreased survival of transfused RBCs. Therefore, it is necessary to know the prevalence of alloantibodies in donors and the clinical significance. Aims and objectives: The aim of this study is to determine the prevalence and identity of red blood cell alloantibodies in healthy first-time blood donors in the South African population, as well as to identify them, with the goal of improving blood safety and transfusion support for patients. Materials and methods: This retrospective and observational study investigates healthy first-time blood donors in the South African population over a five-year period, from January 2015 to December 2019. ABO typing and Rh typing were performed using the fully automated immunohaematology analyser BECKMAN COULTER PK7300 (Danaher Corporation, Brea, California). Erytra Eflexis automated system (8-column DG Gel cards) (Diagnostic Grifols, Barcelona, Spain) was used for antibody screening and antibody identification was performed using the RBC 11 Identisera Diana panel sheet. Approval was obtained from the Ethics Committees of Nelson Mandela University, South African National Blood Services and Western Province Blood Services prior to commencement of the study. Results: A total of 497 711 healthy first-time donors, consisting of 209 604 (42%) males and 288 107 (58%) females, were evaluated for irregular antibodies. The maximum number of donors belonged to the age group 18 to 29. Antibody screening results were positive in 849 donors from the entire population investigated, and 603 were RBC alloantibodies with an overall prevalence of 0.12%. The most frequent RBC alloantibody identified was anti-M from the MNS blood group systems, being present in 129 blood donors. Conclusion: The prevalence of RBC alloantibodies in the donor population in the study was 0.12% (603/497 711). As the inclusion criteria was limited, larger studies examining at all donors (first-time and repeated donations) are needed to determine the actual prevalence of alloantibodies in the population of South African donors. , Thesis (MHSc) -- Faculty of Health Sciences, School of Clinical Care & Medicinal Sciences, 2024
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- Date Issued: 2024-04
The nexus between capital inflows, financial sector development and domestic investment in selected southern African development community countries
- Authors: Zulani, Sihle https://orcid.org/0009-0006-7067-5793
- Date: 2023-03
- Subjects: Capital movements -- Africa, Southern , Saving and investment -- Africa, Southern , Financial services industry -- Africa, Southern
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10353/28872 , vital:75154
- Description: The study seeks to examine the nexus between foreign capital inflows as proxied by foreign direct investment and overseas development assistance, financial sector development as measured by domestic credit to private sector and broad money supply (M3) and domestic investment [gross fixed capital formation] in selected Southern African Development Community (SADC) countries. Panel data model, specifically the panel Autoregressive Distributed Lag technique given the order of integration of the variables utilised in the study was employed from 1980 to 2019. The results revealed that there is cointegration among the variables utilised. After confirming cointegration, the long-run and short run models were estimated to establish the relationship between the variables. The long-run results revealed that about 67% of domestic investment in the SADC region is generated through foreign direct investment. These results suggest that domestic investment is boosted by foreign direct investment in the SADC region. However, financial sector development was found to have a negative effect on domestic investment in the SADC region. The findings from this study suggest that countries should pursue policies aimed at attracting FDI into the SADC region given the positive effect it has on investment. On the part of financial sector development, this could be attributed to the sector not supporting most of the domestic investment given that most of them are small and do not access bank finance. , Thesis (MCom) -- Faculty of Management and Commerce, 2023
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- Date Issued: 2023-03
The nexus between oil prices, exchange rate and foreeign direct investment in South Africa
- Authors: Mapanzure, Rufaro
- Date: 2023-00
- Subjects: Direct Marketing
- Language: English
- Type: Masters theses , text
- Identifier: http://hdl.handle.net/11260/10126 , vital:74939
- Description: The 2000 to 2020 relationship between oil prices, exchange rates, and foreign direct investment (FDI) in South Africa presents a fascinating case in the global economics. Noteworthy is that this period is marked by some important geopolitical events, technological advancements, and economic shifts that provide a rich ground for analyzing how these three critical factors interact in an emerging country. South Africa, with its unique economic and political landscape, offers an exemplary context for exploring the dynamics of these variables and their collective impact on the nation's economic health and growth. This study conducted an empirical analysis to investigate the association of oil prices, exchange rates, and foreign direct investment (FDI) in South Africa from 2000 to 2020. The research applied the autoregressive distributed lag bounds technique (ARDL) after initial unit root tests indicated different orders of integration (1(0) and 1(1)) for the variables. The results align with the risk aversion theory, revealing a significant and negative relationship between exchange rates and foreign direct investment in the long-term. Conversely, the interaction term EXCH_OIL, interest rates, and inflation demonstrated a significant and positive relationship with foreign direct investment in both the short-run and the long-run. The Granger causality test identified a unidirectional causality from foreign direct investment to exchange rates. This study recommends implementing policies aimed at stabilizing oil prices and exchange rates to entice foreign investment into South Africa. , Thesis (Masters) -- Faculty of Economic and Financial Sciences, 2023
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- Date Issued: 2023-00
The gender rubik’s cube: ethnographic conversations with gay men in Port Elizabeth within the Nelson Mandela Bay Municipality
- Authors: Pillay, Ryan
- Date: 2022-12
- Subjects: Masculinity --Port Elizabeth -- Nelson Mandela Bay , Homosexuality --Political aspects -- Port Elizabeth , Sex differences (Psychology)
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10948/59413 , vital:62085
- Description: Today, a number of disciplines across the social sciences have begun to pay attention to gender; however, gender studies suggest a degree of empowerment for feminist knowledge and not enough recognition that men, too, are gendered beings. As the gender spectrum acknowledges inclusions across options of the gendered form, a greater understanding of gender experiences is required to assist in the development of solutions and systemic changes in society. The study uses qualitative research methods such as one on one interviews to open conversations with self- identified gay men, leading to a deeper understanding of masculinities and what it means to be a man within contemporary society. The proposition made in this study on the notions of men and masculinities is that they can be seen as a gender puzzle, or a gendered Rubik’s Cube, which when considered in this way contribute towards a better understanding of humanity. A Rubik’s Cube approach could facilitate the proposed changes of a deeper analysis of men and masculinities. This study fundamentally explores the lived experiences of the participants and how these experiences come alive in relation to masculinities in contemporary society and offers recommendations to facility positive change, such as about the understanding, the role, the process, and the purpose of ‘coming out’ as a gendered form of both expression and self-identity. , Thesis (MA) -- Faculty of Humanities, School of Governmental and Social Sciences, 2022
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- Date Issued: 2022-12
An exploratory study on the impact of three critical incidents on SMEs within the Petroleum retail sector in South Africa
- Authors: Makhaya, Humbulani Portia
- Date: 2022-10-14
- Subjects: Strikes and lockouts Petroleum industry South Africa , Motor fuels Taxation South Africa , Stockout South Africa , Small and medium enterprises South Africa , Service stations Location South Africa
- Language: English
- Type: Academic theses , Master's theses , text
- Identifier: http://hdl.handle.net/10962/403025 , vital:69915
- Description: The purpose of this study was to investigate the impact of three critical incidents with a direct effect on Small and Medium Enterprises (SMEs) within the Petroleum retail sector in South Africa. This study assessed three specific areas: (1) the impact of fuel levy increase on Petroleum retailers, (2) explore how fuel stock-outs are experienced by the SMEs, and (3) the effects of fuel distributors' strike on SMEs in the petroleum sector in South Africa. To address the research objectives, the study employed a qualitative research approach, based on a narrative research design. Primary data was collected through semi-structured interviews conducted with six SMEs in the fuel retail business in Johannesburg. An interview guide was used. Findings highlighted that the location of fuel retail SMEs is an important determinant of how the fuel retailers are affected by these three critical incidents of fuel levy increases, stock-outs and strikes. The study found that while the fuel levy increases are felt through reduced sales volumes, the impact is not the same across fuel retailers. The study revealed that the elasticity of demand varies depending on the location for which it is elastics for those retailers in high Living Standards Measure (LSM) locations and inelastic for those located in lower LSM locations. It was found that the impact is much less for those fuel retailers located in affluent suburbs with a high LSM. In locations such as Beyers Naude and Radiokop in Northern Johannesburg with a high LSM, the demand for fuel remains constant irrespective of price increases. The locations are also less likely to be adversely affected by protest actions. Concerning SMEs’ experiences of fuel stock-outs, the study found that stock-outs impact fuel retail business operations through overhead costs that are incurred while the fuel stations are out of stock. The small margins make it impossible for fuel retailers to quickly recover, as their profitability is dependent on sales volumes, which are compromised when there are stock-outs. Fuel retailers also suffer from reduced future sales volumes due to waning customer loyalty. Finally, the study found that the occurrence of wage-related strikes is minimal due to the nature of collective agreements that are signed within the sector. However, protests actions were found to have deleterious effects on the fuel retailer situated in lower LSM locations. , Thesis (MBA) -- Faculty of Commerce, Rhodes Business School, 2022
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- Date Issued: 2022-10-14
The self and the impossible pursuit of justice in J.M. Coetzee’s "Waiting for the barbarians, disgrace and foe”
- Authors: Swanepoel, Elbie
- Date: 2022-04-07
- Subjects: Coetzee, J M, 1940- Criticism and interpretation , Coetzee, J M, 1940- Waiting for the barbarians , Coetzee, J M, 1940- Disgrace , Coetzee, J M, 1940- Foe , Ethics in literature , Deconstruction , Postmodernism (Literature) , Justice in literature
- Language: English
- Type: Master's thesis , text
- Identifier: http://hdl.handle.net/10962/232294 , vital:49979
- Description: In its engagement with J.M. Coetzee’s Waiting for the Barbarians, Disgrace and Foe, this thesis explores how the philosophies of Emmanuel Levinas and Jacques Derrida can be used as a framework for understanding the self’s relationship with the other. In contrast to postcolonial readings of these texts, this thesis does not consider the separation between the self and the other in terms of social or cultural differences but rather the radical alterity of the other that is perceived in the face-to-face encounter. This study aims to illustrate how the engagement with alterity exposes the instability of the self’s structures of knowledge that, in these instances, are grounded in the Western metaphysical tradition. The effects of the self’s encounter with the other are seen in the personal transformation of Coetzee’s protagonists whose initial flaws and problematic worldviews are revealed in the context of the injustices done to the other. Furthermore, the study examines the extent to which the self is complicit in the suffering of the other and how this ultimately complicates their pursuit of justice for them. While the focus of this thesis is primarily on the characters, it also shows how the writer’s careful treatment of otherness functions to confront and engage the reader with the alterity of the other and the ethical dilemmas inherent in attempting to conceptualise it. The study concludes that the protagonists’ engagement with others and their subsequent confrontation with themselves lead them to consider what an ethical response to the other might be. This ethical turn results in positive change, however ambiguously, in their thoughts about and behaviours toward other beings. , Thesis (MA) -- Faculty of Humanities, English Language and Linguistics, 2022
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- Date Issued: 2022-04-07
The effect of stakeholder management within entities of Nelson Mandela Bay Municipality
- Authors: Mandaba, Seki
- Date: 2022-04
- Subjects: Stakeholder management , Municipal services
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10948/57842 , vital:58279
- Description: The title of this research paper is the effect of stakeholder management within the entities of Nelson Mandela Bay Municipality, a metropolitan municipality in Eastern Cape Province, South Africa. The aim of the research was to investigate the effects of stakeholder management amongst Nelson Mandela Bay Stadium (NMBS), Mandela Bay Development Agency (MBDA) and Nelson Mandela Bay Municipality (NMBM) as the main shareholder to the two entities. The challenges in how municipalities understand the role of internal and external stakeholders and how they are managed effectively continues to face them. Stakeholder management assists municipalities and ensures that key stakeholders are involved in strategic engagements and this helps to improve their decision making in relation to the provision of services. Stakeholder management is considered vital in building fundamental relations among stakeholders. It is thus important for NMBM management to have the understanding of the role, impact and the benefits of effective stakeholder management. Furthermore, stakeholder engagements and good communication can assists to enhance relationships amongst these entities. The study ascertained the role of stakeholder management amongst NMBMB, MBDA and NMBS and conducted and in-depth analysis of the current support system for NMBS. The study also conducted literature review on various frameworks used by South African Municipalities to enable effective communication and stakeholder management within their entities. The study employed a qualitative research design in meeting the primary and secondary aims and focused on the senior management of the three institutions in line with decision making factors that are key to effective stakeholder management. The structured interviews were held with senior managers from NMBM-Economic Development Tourism and Agriculture(EDTA) Directorate, MBDA and NMBS. The study found that there is good understanding of the role of stakeholder management amongst the senior managers. However, it also established that there was a 8 disjuncture in the stakeholder engagements with the NMBM and NMBS and that this may hinder them to deliver on their mandate. Finally the study makes recommendations regarding how best NMBS can manage stakeholder relations with MBDA and NMBM and assesses the value that is created from stakeholder engagement. A framework model that will be inclusive of all stakeholders and that would encourage effective communication must be developed. A study on the role of stakeholder management in Nelson Mandela Bay Municipality is recommended to be conducted. , Thesis (MA) -- Faculty of Business and Economic science, 2022
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- Date Issued: 2022-04
On the gravitational dual to strongly coupled fluids
- Authors: Shawa, Mark Musonda Webster
- Date: 2021-10-29
- Subjects: Quantum gravity , String models , Gauge fields (Physics) , Scattering amplitude (Nuclear physics) , Quark-gluon plasma , Anti-de Sitter/Conformal Field Theory (AdS/CFT) , Gauge/gravity duality
- Language: English
- Type: Doctoral theses , text
- Identifier: http://hdl.handle.net/10962/192933 , vital:45280 , 10.21504/10962/192933
- Description: This thesis discusses the prospect of finding the gravitational dual to the strongly coupled conformal fluids, with a special interest in the quark-gluon plasma. Such a task can be achieved by matching certain physical observables of two apparently different theories that are dually related owing to the fact that the same string theory can be viewed in two different ways. This is particularly useful when one of the theories is intractable while its dual is manageable. We begin by postulating a particular type of gravitational theory from which we determine graviton scattering amplitudes in a special regime of high momentum. Using the gauge–gravity duality dictionary, the graviton scattering amplitudes can be mapped to stress-tensor correlation functions in the gauge theory. One of the outcomes of high-energy scattering experiments involving the quark-gluon plasma is stress-tensor correlator data. This thesis provides an algorithm for matching graviton scattering amplitudes with stress-tensor correlator data which, in principle, can be used to identify the gravitational dual to the quark-gluon plasma. , Thesis (PhD) -- Faculty of Science, Physics and Electronics, 2021
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- Date Issued: 2021-10-29
Working inside Bank 4.0: analysing the impact of the 4IR on the organization of work in the banking sector of South Africa
- Authors: Moshime, Kabelo Katlego
- Date: 2021-10-29
- Subjects: Industry 4.0 South Africa , Banks and banking South Africa , Banks and banking Technological innovations South Africa , Organizational change South Africa , Bank employees South Africa , Job security , Labour process theory
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10962/192386 , vital:45221
- Description: The main objective of the study is to analyse the impact of the 4IR on the organization of work processes in the banking sector of Pretoria, South Africa. The Fourth Industrial Revolution (4IR) is an extension of the digital revolution based on the interconnectedness of machinery and cyber- physical systems that intelligently produce and control production. The South African banking sector has not been immune to the changes brought on by the 4IR in other sectors, as many financial institutions in the country have digitized the bulk of their services, in order to make banking quicker and more efficient. Additionally, the latest COVID-19 pandemic has accelerated the emergence of digital solutions and e-commerce across different sectors worldwide, thus showing that 4IR is here to stay. On the surface, the adoption of various technological innovations within the banking sector seems like a logical step towards building a more efficient banking system, with minimal deficiencies and upskilling opportunities for banking employees, thus providing an improved and convenient banking experience for customers. On the other side, however, one can see general trends that may not be in the best interest for people employed within the banking sector. For example: the introduction of new technologies has reduced the number of employees in banks; the skills upgrade that some bankers have experienced as a result of new technologies, have come at the cost of the many job losses in the sector; also, the control methods in the banks have become more centralised, thus ensuring extreme monitoring of staff. Additionally, new technologies have eliminated the spaces for deficiencies, and have given consumers a greater role in their banking experiences, instead of being assisted from a-z in their local branches. In light of these changes, one has to question the real impact of these changes on the people that have chosen banking as a career, as ‘machines’ have taken over their banking institutions. Using the Labour Process Theory (LPT), this study examined the impact of the 4IR processes on the organization of work and the general employment experiences of employees in the banking sector of Tshwane, in the Gauteng province, of South Africa. This study found the following outcomes: technologies facilitate greater monitoring of the workplace, enable flexible specialisation for workers, reduces foot-flow in bank branches, and shifts the bankers’ work into the hands of the customers. , Thesis (MSocSci) -- Faculty of Humanities, Sociology, 2021
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- Date Issued: 2021-10-29
Assessing Drought Conditions using NDVI, Land Surface Temperature and Precipitation in Amathole District Municipality, Eastern Cape, Province, South Africa
- Authors: Dyosi, Masonwabe
- Date: 2021-05
- Subjects: Remote sensing , Earth sciences--Remote sensing
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10353/20793 , vital:46570
- Description: The world is faced with unprecedented environmental changes, which can be linked to population growth, and economic development. Several studies have indicated that these changes are likely to accelerate in the future and cause adverse impact on the environment. To this end, the Eastern Cape Province and in particular the Amathole District Municipality (ADM) has recorded high number of climate change related disasters such as prolonged drought conditions witnessed during the winter season of 2008, 2009, 2014 and 2015 among others. To this end, this study aimed to use remote sensing imagery to assess and document drought occurrences in the ADM from 2007 to 2017. To accomplish the aim, the Normalized Difference Vegetation Index, Land Surface Temperature and Precipitation were explored to assess drought spatiotemporal occurrences. To assess the relationship between abovementioned variables, the Pearson’s correlation was used. For the analysis a total of 396 satellite imagery (MODIS NDVI and Land Surface Temperature as well as TRMM precipitation) were used. The study results revealed that different correlations exist between the three variables. The strength of correlations differed by season. Furthermore, it was revealed that the drought conditions in the district differed in the spatial distribution. The study accurately identified the drought episodes which occurred in the ADM in the years 2008, 2009, 2014, 2015 and 2016. The chosen methodology and variables proved to be suitable for analysing drought conditions offering space and temporal variation dimension, which is vital in monitoring disasters such as drought. , Thesis (MSc) (Geography) -- University of Fort Hare, 2021
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- Date Issued: 2021-05
The effect of electronic human resources management on employee engagement levels across generational cohorts
- Authors: Grobbelaar, Angelique Louise
- Date: 2021-04
- Subjects: Personnel management , Information technology -- Management , Employee motivation
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10948/51450 , vital:43278
- Description: The infrastructure and use of the Internet have developed rapidly in recent years, which propelled traditional human resources systems into a new electronic human resources (E-HRM) approach. This cannot, however, be regarded as a one-size-fits-all solution as employees across different generational cohorts are not all at the same comfort level with regard to operating such web-based applications. It is the researcher’s opinion that the latter may affect employee engagement as this appears to be the case within the researcher’s own organisation. Employee engagement is important in providing organisations with the competitive advantage required to operate in a highly competitive market. Employee engagement levels are far from ideal across many organisations, which require these organisations to identify solutions to raise overall engagement levels. With age rapidly becoming a more important diversity factor, it is imperative for managers to understand the effect of E-HRM on employee engagement across the generational cohorts to design the most beneficial HRM strategy for their organisation. The purpose of this study is to gain a better understanding on how generational cohorts are affected by the application of E-HRM programmes and to identify whether there are substantial variances between the engagement levels of the different generational cohorts in this context. , Thesis (MBA) -- Faculty of Business and Economic Sciences, Business Administration, 2021
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- Date Issued: 2021-04
Intersection of race, gender and class in the interventional life-writings of four selected South African authors
- Authors: Ndlovu, Siphatisiwe Patricia
- Date: 2020
- Subjects: Post-apartheid era -- South Africa , Interventional writing , Fred Khumalo , Malaika wa Azania , Khaya Dlanga , Tumi Morake
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/11260/3414 , vital:43345
- Description: The interventional life writings of second generation life writers (young, black, middleclass South Africans) in post-apartheid South Africa have not attracted much academic debate in spite of the burgeoning of such writings recently. The intersection of race, class and gender in post-apartheid South Africa remains a problem and a rich site of research, hence this research’s reading of four selected life writings by young, black, middle-class South Africans living in post-apartheid South Africa: Fred Khumalo’s Touch My Blood: The Early Years (2006), Malaika Wa Azania’s Memoires of a Born Free: Reflections on the Rainbow Nation (2014), Khaya Dlanga’s To Quote Myself (2015) and Tumi Morake’s And Then Mama Said… Words That Set My Life Alight (2018). Using the intersectional approach, the study explores the lives narrated by second generation South Africans, in a manner similar to the grand narratives because of their historical and social context. The study focalises life/self-writers who have experienced post-apartheid trauma of being racialized, gendered and classed in a democratic country. This is a shift from the staple analysis of lives of political struggle against apartheid, narrated by historical legends such as Nelson Mandela. The study then, by focusing on ‘small voices’ closes a critical gap created by over-attention paid to grand narratives in South African life writing. Self-narrations by young, black, middle-class South Africans emerge not only as a way of narrating history but also as a means of making history. Through the deployment of the intersectional approach (the interconnectedness of inequalities) to analyse the systems of oppression associated with democratic South Africa, the four selected interventional life writers reveal how their experiences and identities are an outcome of constantly renegotiating power relations. , Thesis (MA) -- Faculty of Humanities, Social Sciences and Law, 2020
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- Date Issued: 2020
Investigating cannabinoids and endocannabinoid receptors as drug targets for pain and inflammation
- Authors: Marwarwa, Sinobomi Zamachi
- Date: 2020
- Subjects: Cannabinoids , Cannabinoids Receptors , Inflammation Alternative treatment , Pain Alternative treatment , Drug targeting
- Language: English
- Type: Master's theses , text
- Identifier: http://hdl.handle.net/10962/164468 , vital:41121
- Description: Cannabinoids and the endocannabinoid system have been studied in the past decades but have yet to be fully understood. An insight into interactions that occur between cannabinoid compounds and their receptors is important for understanding the cannabinoids and the endocannabinoid system. Cannabinoids are natural products found in some cannabis plants, and they have similar effects to endocannabinoids, which are chemicals in the body that are involved many aspects of health from appetite, memory, and movement to pain, inflammation and response to cancer. Cannabinoids have a high impact on the treatment of pain and inflammation, they show different antinociceptive mechanisms to existing drugs like opioids, also, they have antimigraine properties better than those achieved by aspirin. The CB1 and CB2 human receptors have been the most studied cannabinoid receptors. In this project, we used a combination of mass-spectrometry to generate plausible chemical fragments and computational techniques to assess the binding of these fragments to these two main CB receptors. CB1 was adapted from the protein data bank (PBD), file 5U09 and the CB2 model was predicted using the hierarchical protocol I-TASSER, starting from the amino acid sequence in UniProt (P34972 CNR2_HUMAN). The proposed active site for CB1 was reported in a publication accompanying the 5U09 PDB model, which was originally generated with a pre-existing ligand in the active site. However, CB2 had to be built from a homology model and the active site determined using a combination of I-TASSER, Maestro, and CASTp the more favourable binding energies were determined by CASTp, leading to the use of the CASTp coordinates as default for docking in the CB2 human receptor. The molecular docking of cannabinoids THC, CBD, CBDV, CBG and CBN on both the CB1 and CB2 proteins was performed to identify the amino acids that interact with these compounds at their active sites. This would provide a guide to a future fragment-based drug discovery (FBDD) synthesis project. The docking in this work showed adequate accuracy with binding energies between -8.23 kcal/mol and -9.97 kcal/mol for CB1 and between -6.78 kcal/mol and -7.74 kcal/mol for CB2. An observation made was that binding energies of the CB1 human receptor docking were higher than those of the CB2 human receptor, which could support the widely held belief that CB1 is more important in cannabinoid interactions. The cannabinoids were then subjected to collision-induced dissociation to produce fragment structures predicted in chapter 2. These hypothetical fragments were docked in the CB1 and CB2 human receptor, the general trend again being the binding energies for the CB1 receptor was again around 10% higher than those of the CB2 receptor. As expected, larger fragments tended to have better binding, with the fragment proposed from m/z 259 with binding energies -9.62 kcal/mol in CB1 and -6.26 kcal/mol. Those fragments with significant lipophilic side chains or some aromatic moiety also showed good binding or around -6.00 kcal/mol, similar to the intact cannabinoids. In our case, this fragment was proposed from m/z 223 with binding energies -7.71 kcal/mol in CB1 and -6.5 kcal/mol in CB2. The results from the fragment dockings were favourable in that they have binding affinities lower than -6.0 kcal/mol which is good enough for the structures to be leads in the creation of fragment libraries. The docking was performed with Autodock 1.5.6 and data visualization with a discovery studio. , Thesis (MSc) -- Faculty of Science, Chemistry, 2020
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- Date Issued: 2020