QSAR model to develop newer generation GSK-3ß inhibitors targeting Alzheimer

In the year 2022 most of the patients affected by the disease was around 65 year age. Among total number of patients, 73% were near 75 year or older age. It was also stated that maximum numbers of patients were women. Black Americans were more affected by Alzheimer than white Americans. GSK-3 has also been linked to the hyperphosphorylation of tau protein, the development of amyloid- beta plaques, other inflammatory responses, activation of microglial cells, the production of neurotoxic inflammatory factors, and a decrease in the level of acetylcholine, all of which together lead to Alzheimer's disease. GSK-3 controlled the inflammatory stress brought on by anomalies in the mitochondria and endoplasmic reticulum. However, none of the compounds utilised in the treatment were particularly helpful in curing the patient completely. The development of newer generation anti-Alzheimer therapeutic compounds was therefore hampered by this curse, and computational approaches were crucial in breaking it. The most effective QSAR model was pIC50 = -5.47052 +2.60572 IC1 +1.64642 GATS2e +2.088 mindssC -0.01441 ATSC7s -13.5191 AVP-0 +0.16712 minssNH -0.15369 minaaN +0.01777 VR2_Dt +1.52684 MATS8s +0.04725 nAtomP with all necessary acceptance criteria Q(boolean AND)2: 0.60111, r(boolean AND)2: 0.65711, |r0(boolean AND)2r ' 0(boolean AND)2|: 0.07866, k: 0.99121 [(r(boolean AND)2-r0(boolean AND)2)/r(boolean AND)2] 0.00543 or k ': 0.92437 [(r(boolean AND)2-r ' 0(boolean AND)2)/r(boolean AND)2] 0.12513. It is clear that our QSAR model will be a blessing for humanity if we wish to produce a chemical that works as a GSK-3 inhibitor to treat Alzheimer's disease in the near future.