Mathematical Multidimensional Modelling and Structural Artificial Intelligence Pipelines Provide Insights for the Designing of Highly Specific AntiSARS-CoV2 Agents

Abstract

COVID19 is the most impactful pandemic of recent times worldwide. It is a highly infectious disease that is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2 virus), To date there is specific drug nor vaccination against COVID19. Therefor the need for novel and pioneering anti-COVID19 is of paramount importance. In this direction, computer-aided drug design constitutes a very promising antiviral approach for the discovery and analysis of drugs and molecules with biological activity against SARS-CoV2. In silico modelling takes advantage of the massive amounts of biological and chemical data available on the nature of the interactions between the targeted systems and molecules, as well as the rapid progress of computational tools and software. Herein, we describe the potential of the merging of mathematical modelling, artificial intelligence and learning techniques into seamless computational pipelines for the rapid and efficient discovery and design of potent anti- SARS-CoV-2 modulators.

Epitranscriptomics of cardiovascular diseases (Review)

“…The majority of the aforementioned approaches are based on conventional pipelines on databases' data management ( 280 , 281 ). However, at present in the post-genomic era, state-of-the-art approaches based on artificial intelligence are being employed, thus providing novel and radical solutions for the management and analysis of high amounts of data, where algorithms and convolutional networks not only decipher information by removing noise and reducing dimensionality, but also produce new knowledge and associations ( 282 ). The tremendous clinical potential of these advancements is supported by the early establishment of multiple companies focusing on epitranscriptomics, such as Accent, Gotham and Storm Therapeutics.…”

Emerging technologies for the management of COVID19: A review

“…As a result, researchers have been attempting to harness the power of ML or DL in order to assist medical personnel in accurately detecting this disease [26] . ML and AI techniques has been utilised for better understanding of patient's category which helps in clinical decision making [27] . Computed tomographic scans are one of the vitally used diagnosis tool in the battle of this pandemic and a huge appalaud to AI techniques for providing rapid decision making system [28] .…”

“…CADD refers to computer-aided design tools for keeping, maintaining, analysing, and modelling molecular compounds. As a result, it contains tools for designing compounds, evaluating potential lead candidates, and researching compounds' chemical interactions and physicochemical properties [27] [31] . Below are the domains in which AI is assisting in dealing with this deadly virus: a.Surveillance of diseases b.Prediction of Risk c.Medical Screening and Diagnosis d.Curative Investigations e. Modeling and Analysis of Viruses f.Identification of the Host g.Fake News Debunked h. Putting the Lockdown Measures in Place …”

Application of Mathematical Modeling and Computational Tools in the Modern Drug Design and Development Process

“…The model also known as forecasting modeling is now frequently used to guide drug development at the industrial level. For example, simulation is the more direct approach that utilizes a mathematical model and predicts system behavior under given conditions [9]. Mathematical model-based biological complex system analysis has high productivity and low cost.…”