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A hybrid fractional optimal control for a novel Coronavirus (2019-nCov) mathematical model.

ABSTRACT: In this work, a novel fractional order Coronavirus (2019-nCov) mathematical model with modified parameters is presented. The new fractional operator can be written as a linear combination of a Riemann-Liouville integral and a Caputo derivative. The suggested system is ruled by eight fractional-order nonlinear differential equations. The optimal control of the suggested model is the main objective of this work. Three control variables are presented in this model to minimize the number of infected population. Necessary control conditions are derived. Two schemes are constructed to simulate the proposed optimal control system. Prove of the schemes- stability are given. In order to validate the theoretical results numerical simulations and comparative studies with Caputo derivative are given.

SUBMITTER: Sweilam NH

PROVIDER: S-EPMC7445142 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature

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A hybrid fractional optimal control for a novel Coronavirus (2019-nCov) mathematical model.

Sweilam N H NH Al-Mekhlafi S M SM Baleanu D D

Journal of advanced research 20200825

<h4>Introduction</h4>Coronavirus COVID-19 pandemic is the defining global health crisis of our time and the greatest challenge we have faced since world war two. To describe this disease mathematically, we noted that COVID-19, due to uncertainties associated to the pandemic, ordinal derivatives and their associated integral operators show deficient. The fractional order differential equations models seem more consistent with this disease than the integer order models. This is due to the fact tha ...[more]

PMID: 32864171

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Project description:The emergence of 2019 novel coronavirus (2019-nCoV) is of global concern and might have emerged from RNA recombination among existing coronaviruses. CoV spike (S) protein which is crucial for receptor binding, membrane fusion via conformational changes, internalization of the virus, host tissue tropism and comprises crucial targets for vaccine development, remain largely uncharacterized. Therefore, the present study has been planned to determine the sequence variation, structural and antigenic divergence of S glycoprotein which may be helpful for the management of 2019-nCoV infection. The sequences of spike glycoprotein of 2019-nCoV and SARS coronavirus (SARS-CoV) were used for the comparison. The sequence variations were determined using EMBOSS Needle pairwise sequence alignment tools. The variation in glycosylation sites was predicted by NetNGlyc 1.0 and validated by N-GlyDE server. Antigenicity was predicted by NetCTL 1.2 and validated by IEDB Analysis Resource server. The structural divergence was determined by using SuperPose Version 1.0 based on cryo-EM structure of the SARS coronavirus spike glycoprotein. Our data suggests that 2019-nCoV is newly spilled coronavirus into humans in China is closely related to SARS-CoV, which has only 12.8% of difference with SARS-CoV in S protein and has 83.9% similarity in minimal receptor-binding domain with SARS-CoV. Addition of a novel glycosylation sites were observed in 2019-nCoV. In addition, antigenic analysis proposes that great antigenic differences exist between both the viral strains, but some of the epitopes were found to be similar between both the S proteins. In spite of the variation in S protein amino acid composition, we found no significant difference in their structures. Collectively, for the first time our results exhibit the emergence of human 2019-nCoV is closely related to predecessor SARS-CoV and provide the evidence that 2019-nCoV uses various novel glycosylation sites as SARS-CoV and may have a potential to become pandemic owing its antigenic discrepancy. Further, demonstration of novel Cytotoxic T lymphocyte epitopes may impart opportunities for the development of peptide based vaccine for the prevention of 2019-nCoV.

Project description:A novel coronavirus, called 2019-nCoV, was recently found in Wuhan, Hubei Province of China, and now is spreading across China and other parts of the world. Although there are some drugs to treat 2019-nCoV, there is no proper scientific evidence about its activity on the virus. It is of high significance to develop a drug that can combat the virus effectively to save valuable human lives. It usually takes a much longer time to develop a drug using traditional methods. For 2019-nCoV, it is now better to rely on some alternative methods such as deep learning to develop drugs that can combat such a disease effectively since 2019-nCoV is highly homologous to SARS-CoV. In the present work, we first collected virus RNA sequences of 18 patients reported to have 2019-nCoV from the public domain database, translated the RNA into protein sequences, and performed multiple sequence alignment. After a careful literature survey and sequence analysis, 3C-like protease is considered to be a major therapeutic target and we built a protein 3D model of 3C-like protease using homology modeling. Relying on the structural model, we used a pipeline to perform large scale virtual screening by using a deep learning based method to accurately rank/identify protein-ligand interacting pairs developed recently in our group. Our model identified potential drugs for 2019-nCoV 3C-like protease by performing drug screening against four chemical compound databases (Chimdiv, Targetmol-Approved_Drug_Library, Targetmol-Natural_Compound_Library, and Targetmol-Bioactive_Compound_Library) and a database of tripeptides. Through this paper, we provided the list of possible chemical ligands (Meglumine, Vidarabine, Adenosine, D-Sorbitol, D-Mannitol, Sodium_gluconate, Ganciclovir and Chlorobutanol) and peptide drugs (combination of isoleucine, lysine and proline) from the databases to guide the experimental scientists and validate the molecules which can combat the virus in a shorter time.

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A hybrid fractional optimal control for a novel Coronavirus (2019-nCov) mathematical model.

Publications

A hybrid fractional optimal control for a novel Coronavirus (2019-nCov) mathematical model.

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