Prediction of Coronavirus Inhibitors in Drug Discovery through Deep Learning

In the therapy of Coronavirus, the drug target is a demanding task to find novel medicine. A bunch of pharmaceutics procedures are employed to recognize these mutual actions. But they are exhausting and high-priced. Keeping this in view, computational procedures are widely approached to determine the mutual action of the medicine and their respective proteins. Many scientists have applied ML approaches to deduce attributes from simplified molecular-input line systems (for medicine) and protein sequences. Such approaches dropped the proteins' chemical, physical, and structural characteristics and the respective medicine. Our job is to undertake deep learning approaches to detect coronavirus enzyme correspondence with the validated Chembl database medicine. The representation of the molecular structure of proteins, medically known as fingerprints, will be done scientifically. Then, a deep learning model will be given training on the pulled-out fingerprints and the properties of molecules to determine the interplay of the medicine with the respective catalyst. The suggested approach will be proficient in recognizing the catalyst's interactivity with the approved database medicine.

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Publication Details

Journal
ICCK Transactions on Advanced Computing and Systems
Published
2025-02-19
DOI
https://doi.org/10.62762/tacs.2024.974479
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
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article

Prediction of Coronavirus Inhibitors in Drug Discovery through Deep Learning

Xianxuan Lin, Tariq Hussain, Islam Md Monirul, Tauseef Khan et al.
ICCK Transactions on Advanced Computing and Systems
Computational Drug Discovery Methods
article

Prediction of Coronavirus Inhibitors in Drug Discovery through Deep Learning

Xianxuan Lin, Tariq Hussain, Islam Md Monirul, Tauseef Khan, Altaf Hussain, Amin Sharafian, Umme Laila
article en

Abstract

In the therapy of Coronavirus, the drug target is a demanding task to find novel medicine. A bunch of pharmaceutics procedures are employed to recognize these mutual actions. But they are exhausting and high-priced. Keeping this in view, computational procedures are widely approached to determine the mutual action of the medicine and their respective proteins. Many scientists have applied ML approaches to deduce attributes from simplified molecular-input line systems (for medicine) and protein sequences. Such approaches dropped the proteins' chemical, physical, and structural characteristics and the respective medicine. Our job is to undertake deep learning approaches to detect coronavirus enzyme correspondence with the validated Chembl database medicine. The representation of the molecular structure of proteins, medically known as fingerprints, will be done scientifically. Then, a deep learning model will be given training on the pulled-out fingerprints and the properties of molecules to determine the interplay of the medicine with the respective catalyst. The suggested approach will be proficient in recognizing the catalyst's interactivity with the approved database medicine.

ICCK Transactions on Advanced Computing and SystemsVol. 1(1)
Chongqing University of Posts and Telecommunications (CN), COMSATS University Islamabad (PK), Shenzhen University (CN), Nanjing University of Information Science and Technology (CN), Institute of Business Management (PK), Zhejiang Gongshang University (CN)
Openalex Percentile: Top 82%
Computational Drug Discovery Methods
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Prediction of Coronavirus Inhibitors in Drug Discovery through Deep Learning — Xianxuan Lin, Tariq Hussain, et al. · ICCK Transactions on Advanced Computing and Systems (2025) | TGRS Research Map | TGRS