000			02996nam a22001577a 4500
082			_a610
100			_aKhan, Areej Sohail _9122569
245			_aCOVID-19 (6LU7) predictive binding association with Aβ oligomers and possible link to Alzheimer's disease / _cAreej Sohail Khan
264			_aIslamabad : _bSMME- NUST; _c2022.
300			_a74p. _bSoft Copy _c30cm
500			_aThe high rise pandemic of Coronavirus Disease 2019 (COVID-19) makes the world 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 is the brain. Over 80 million humans around the globe, including those with neurodegenerative disease (NDD), have been diagnosed with coronavirus disease 2019 (COVID-19) to date. COVID-19 affects the brain in many ways including direct infection of neural cells with SARS-CoV-2, severe systemic inflammation that floods the brain with pro-inflammatory agents leading to damaging cells and leading to symptoms presenting cognitive impairment. COVID-19 positive patients showcase neurological symptoms leading to the belief that coronavirus disease plays a role in neurodegenerative diseases. The most common NDD, Alzheimer’s disease (AD) is characterized by its multifactorial nature leading to research on risk factors that emphasizes on the inflammation of toxicity and mutual death of cells due to amyloid beta and its conformers, namely monomeric and oligomeric forms. Amyloid beta oligomers initiate toxicity and neural death of cells in AD. The main aim of this study is to decipher the interactive association between toxic forms of amyloid beta oligomer against COVID-19 main protease. We used PDB and Pubchem for library retrieval that was loaded in to discovery studio to extract the active binding site of main protease of SARS-CoV-2 and prepare ligands for docking. Furthermore, we utilized PyRx for docking to investigating binding energies of conformations attained, the best affinity ligands were formed into a complex by the use of Pymol that were than visualized using Discovery studio where 2D interactions were also observed that later were further analyzed using Ligplot+ to get an insight on bond length and strength along with bond types. Aβ oligomer 31-35 binds actively to the active site of M-pro of SARS-CoV-2 at a high affinity rate of -6.3kcal/mol. 6LU7 complex with amyloid 31-35 (Complex 1) when docked XII with the receptor of apoptotic pathway showed enhanced predictive association. Bioinformatics tools in this research substantiated the important interactive partners amongst amyloid oligomers to COVID-19 highlighting that SARS-Cov-2 may play a role in apoptotic demise of cells ultimately leading to neurodegeneration.
650			_aMS Biomedical Sciences (BMS)
700			_aSupervisor : Dr. Saima Zafar _9122351
856			_uhttp://10.250.8.41:8080/xmlui/handle/123456789/30881
942			_2ddc _cTHE
999			_c609040 _d609040