QSAR-QMMM Cryptographic Mining on Chern-Simons Topological Geometrics for the generation of a Ligand Targeting COVID-19-SARS-COV-2 SPIKE D614G Binding Sites.

preprint OA: closed
📄 Open PDF View at publisher

Abstract

SARS coronavirus 2 (SARS-CoV-2) in the viral spike (S) encoding a SARS-COV-2 SPIKE D614G mutation protein predominate over time in locales revealing the dynamic aspects of its key viral processes where it is found, implying that this change enhances viral transmission. It has also been observed that retroviruses infected ACE2-expressing cells pseudotyped with SG614 that is presently affecting a growing number of countries markedly more efficiently than those with SD614. In this paper, we strongly combine topology geometric methods targeting at the atomistic level the protein apparatus of the SARS-COV-2 virus that are simple in machine learning anti-viral characteristics, to propose computer-aided rational drug design strategies efficient in computing docking usage, and powerful enough to achieve very high accuracy levels for this in-silico effort for the generation of the AI-Quantum designed molecule of Combination of GisitorviffirnaTM, Roccustyrna_gs1_TM, and Roccustyrna_fr1_TM ligands with Preferred IUPAC Names of (7aR)‐5‐amino‐N‐[(S)‐{2‐[(S)‐[(E)‐(amino methyl idene)amino](cyano)methyl]hydrazin‐1‐yl}(aziridin‐1‐yl)phosphoryl]‐1‐[(2E)‐2‐[(fluoromethanimidoyl)imino]acetyl]‐7‐oxo‐1H,7H,7aH‐pyrazolo[4,3‐d]pyrimidine‐3‐carboxamide; N‐{[(2‐amino‐ 6‐oxo‐6,9‐dihydro‐1H‐purin‐9‐yl)amino]({1‐[5‐ ({[cyano({1‐[(diaminomethylidene)amino]ethenyl})amino]oxy}methyl)‐3,4‐dihydroxyoxolan‐2‐yl]‐1H‐1,2,4‐triazol‐3‐yl}formamido)phosphoryl}‐6‐fluoro‐3,4‐dihydropyrazine‐2‐carboxamide;[3‐(2‐amino‐5‐sulfanylidene‐1,2,4‐triazolidin‐3‐yl)oxaziridin‐2‐yl]({3‐sulfanylidene‐1,2,4,6‐tetraazabicyclo[3.1.0]hexan‐6‐yl})phosphoroso1‐(3,4,5‐trifluorooxolan‐2‐yl)‐1H‐1,2,4‐triazole‐3‐carboxylate targeting the COVID-19-SARS-COV-2 SPIKE D614G mutation using Chern-Simons Topology Euclidean Geometric in a Lindenbaum-Tarski generated QSAR automating modeling and Artificial Intelligence-Driven Predictive Neural Networks.

My notes (saved in your browser only)

Citation neighborhood (no data yet)

We don't have any in-corpus citations linked to this paper yet. This is a recent paper (2024) — citers typically take a year or two to land, and the OpenAlex reference graph may still be filling in.

Source provenance

europepmc
last seen: 2026-05-20T01:45:00.602351+00:00
unpaywall
last seen: 2026-07-09T06:39:34.564547+00:00