COVID-19 (6LU7) predictive binding association with Aβ oligomers and possible link to Alzheimer's disease / (Record no. 609040)

000 -LEADER
fixed length control field 02996nam a22001577a 4500
082 ## - DEWEY DECIMAL CLASSIFICATION NUMBER
Classification number 610
100 ## - MAIN ENTRY--PERSONAL NAME
Personal name Khan, Areej Sohail
245 ## - TITLE STATEMENT
Title COVID-19 (6LU7) predictive binding association with Aβ oligomers and possible link to Alzheimer's disease /
Statement of responsibility, etc. Areej Sohail Khan
264 ## - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE
Place of production, publication, distribution, manufacture Islamabad :
Name of producer, publisher, distributor, manufacturer SMME- NUST;
Date of production, publication, distribution, manufacture, or copyright notice 2022.
300 ## - PHYSICAL DESCRIPTION
Extent 74p.
Other physical details Soft Copy
Dimensions 30cm
500 ## - GENERAL NOTE
General note The high rise pandemic of Coronavirus Disease 2019 (COVID-19) makes the world<br/>face medical challenges associated with multifaceted nature of its pathology. SARSCoV-2 affects several organs and systems as it enters the host’s body one of which<br/>is the brain. Over 80 million humans around the globe, including those with<br/>neurodegenerative disease (NDD), have been diagnosed with coronavirus disease<br/>2019 (COVID-19) to date. COVID-19 affects the brain in many ways including<br/>direct infection of neural cells with SARS-CoV-2, severe systemic inflammation that<br/>floods the brain with pro-inflammatory agents leading to damaging cells and leading<br/>to symptoms presenting cognitive impairment. COVID-19 positive patients<br/>showcase neurological symptoms leading to the belief that coronavirus disease plays<br/>a role in neurodegenerative diseases. The most common NDD, Alzheimer’s disease<br/>(AD) is characterized by its multifactorial nature leading to research on risk factors<br/>that emphasizes on the inflammation of toxicity and mutual death of cells due to<br/>amyloid beta and its conformers, namely monomeric and oligomeric forms.<br/>Amyloid beta oligomers initiate toxicity and neural death of cells in AD. The main<br/>aim of this study is to decipher the interactive association between toxic forms of<br/>amyloid beta oligomer against COVID-19 main protease. We used PDB and<br/>Pubchem for library retrieval that was loaded in to discovery studio to extract the<br/>active binding site of main protease of SARS-CoV-2 and prepare ligands for<br/>docking. Furthermore, we utilized PyRx for docking to investigating binding<br/>energies of conformations attained, the best affinity ligands were formed into a<br/>complex by the use of Pymol that were than visualized using Discovery studio where<br/>2D interactions were also observed that later were further analyzed using Ligplot+<br/>to get an insight on bond length and strength along with bond types. Aβ oligomer<br/>31-35 binds actively to the active site of M-pro of SARS-CoV-2 at a high affinity<br/>rate of -6.3kcal/mol. 6LU7 complex with amyloid 31-35 (Complex 1) when docked<br/>XII<br/>with the receptor of apoptotic pathway showed enhanced predictive association.<br/>Bioinformatics tools in this research substantiated the important interactive partners<br/>amongst amyloid oligomers to COVID-19 highlighting that SARS-Cov-2 may play<br/>a role in apoptotic demise of cells ultimately leading to neurodegeneration.
650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element MS Biomedical Sciences (BMS)
700 ## - ADDED ENTRY--PERSONAL NAME
Personal name Supervisor : Dr. Saima Zafar
856 ## - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="http://10.250.8.41:8080/xmlui/handle/123456789/30881">http://10.250.8.41:8080/xmlui/handle/123456789/30881</a>
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Koha item type Thesis
Holdings
Withdrawn status Permanent Location Current Location Shelving location Date acquired Full call number Barcode Koha item type
  School of Mechanical & Manufacturing Engineering (SMME) School of Mechanical & Manufacturing Engineering (SMME) E-Books 05/10/2024 610 SMME-TH-747 Thesis
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