Computational Approaches to Designing Antiviral Drugs against COVID-19: A Comprehensive Review DOI
Mohan Singh, Nidhi Singh,

Divya Mishra

et al.

Current Pharmaceutical Design, Journal Year: 2023, Volume and Issue: 29(33), P. 2601 - 2617

Published: Sept. 1, 2023

Abstract: The global impact of the COVID-19 pandemic caused by SARS-CoV-2 necessitates innovative strategies for rapid development effective treatments. Computational methodologies, such as molecular modelling, dynamics simulations, and artificial intelligence, have emerged indispensable tools in drug discovery process. This review aimed to provide a comprehensive overview these computational approaches their application design antiviral agents COVID-19. Starting with an examination ligand-based structure-based discovery, has delved into intricate ways through which modelling can accelerate identification potential therapies. Additionally, investigation extends phytochemicals sourced from nature, shown promise agents. Noteworthy compounds, including gallic acid, naringin, hesperidin, Tinospora cordifolia, curcumin, nimbin, azadironic nimbionone, nimbionol, nimocinol, exhibited high affinity Mpro favourable binding energy profiles compared current drugs. Although compounds hold potential, further validation vitro vivo experimentation is imperative. Throughout this exploration, emphasized pivotal role biologists, bioinformaticians, biotechnologists driving advancements clinical research therapeutic development. By combining state-of-the-art techniques insights structural biology, search potent been accelerated. collaboration between disciplines holds immense addressing transmissibility virulence SARS-CoV-2.

Language: Английский

Review of AlphaFold 3: Transformative Advances in Drug Design and Therapeutics DOI Open Access
Dev Desai,

Shiv V Kantliwala,

Jyothi Vybhavi

et al.

Cureus, Journal Year: 2024, Volume and Issue: unknown

Published: July 2, 2024

Google DeepMind Technologies Limited (London, United Kingdom) recently released its new version of the biomolecular structure predictor artificial intelligence (AI) model named AlphaFold 3. Superior in accuracy and more powerful than predecessor 2, this innovation has astonished world with capacity speed. It takes humans years to determine various proteins how shape works receptors but 3 predicts same seconds. The version's utility is unimaginable field drug discoveries, vaccines, enzymatic processes, determining rate effect different biological processes. uses similar machine learning deep models such as Gemini (Google Limited). already established itself a turning point computational biochemistry development along receptor modulation development. With help this, researchers will gain unparalleled insights into structural dynamics their interactions, opening up avenues for scientists doctors exploit benefit patient. integration AI like 3, bolstered by rigorous validation against high-standard research publications, set catalyze further innovations offer glimpse future biomedicine.

Language: Английский

Citations

20

Transforming the Civil Engineering Sector with Generative Artificial Intelligence, such as ChatGPT or Bard DOI

Nitin Rane,

Saurabh Choudhary, Jayesh Rane

et al.

SSRN Electronic Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

The infusion of generative artificial intelligence (AI) stands out as a transformative influence in civil engineering, reshaping conventional methodologies and elevating the effectiveness precision across various domains. This study delves into nuanced impact ChatGPT, potent language model, key realms within engineering: Structural Engineering, Geotechnical Transportation Environmental Water Resources Urban Regional Planning, Materials Coastal Earthquake Engineering. Within ChatGPT assumes central role formulating refining structural designs. By deciphering intricate engineering concepts proposing inventive solutions, assists engineers crafting structures that not only exhibit resilience but also optimize resource utilization. Its proficiency scrutinizing extensive datasets delivering insights positions it an invaluable tool for augmenting integrity safety. Engineering benefits from ChatGPT's aptitude processing interpreting geological geophysical data. Through generation reports analyses, aids recognizing potential risks suggesting mitigation strategies, thereby expediting decision-making geotechnical projects. In realm application involves streamlining traffic flow, devising intelligent transportation systems, overall infrastructure planning. natural capabilities facilitate seamless communication collaboration among diverse stakeholders engaged contributes to evaluation environmental studies, assisting planners making well-informed decisions prioritizing sustainability. Moreover, its capability simulate scenarios formulation effective pollution control measures. leverages data interpretation modeling, enabling precise predictions water flow patterns aiding design efficient management systems. extends contributions where urban development optimizing land use, addressing challenges associated with population growth urbanization. prowess analysis materials enhanced properties, resilient coastal structures, creation earthquake-resistant infrastructure. research paper scrutinizes how integration these disciplines heightens efficiency practices unlocks new avenues innovation, sustainability, face evolving challenges.

Language: Английский

Citations

6

A review of the Applications, Benefits, and challenges of Generative AI for sustainable toxicology DOI Creative Commons
Furqan Alam,

Tahani Saleh Mohammed Alnazzawi,

Rashid Mehmood

et al.

Current Research in Toxicology, Journal Year: 2025, Volume and Issue: unknown, P. 100232 - 100232

Published: April 1, 2025

Sustainable toxicology is vital for living species and the environment because it guarantees safety, efficacy, regulatory compliance of drugs, treatments, vaccines, chemicals in organisms environment. Conventional toxicological methods often lack sustainability as they are costly, time-consuming, sometimes inaccurate. It means delays producing new treatments understanding adverse effects on To address these challenges, healthcare sector must leverage power Generative-AI (GenAI) paradigm. This paper aims to help understand how field can be revolutionized multiple ways by using GenAI facilitate sustainable developments. first reviews present literature identifies possible classes that applied toxicology. A generalized holistic visualization various processes powered presented tandem. The discussed risk assessment management, spotlighting global agencies organizations forming policies standardize regulate AI-related development, such GenAI, fields. discusses advantages challenges Further, outlines empowers Conversational-AI, which will critical highly tailored solutions. review develop a comprehensive impacts future potential knowledge gained create applications problems toxicology, ultimately benefiting our societies

Language: Английский

Citations

0

Computational Approaches to Designing Antiviral Drugs against COVID-19: A Comprehensive Review DOI
Mohan Singh, Nidhi Singh,

Divya Mishra

et al.

Current Pharmaceutical Design, Journal Year: 2023, Volume and Issue: 29(33), P. 2601 - 2617

Published: Sept. 1, 2023

Abstract: The global impact of the COVID-19 pandemic caused by SARS-CoV-2 necessitates innovative strategies for rapid development effective treatments. Computational methodologies, such as molecular modelling, dynamics simulations, and artificial intelligence, have emerged indispensable tools in drug discovery process. This review aimed to provide a comprehensive overview these computational approaches their application design antiviral agents COVID-19. Starting with an examination ligand-based structure-based discovery, has delved into intricate ways through which modelling can accelerate identification potential therapies. Additionally, investigation extends phytochemicals sourced from nature, shown promise agents. Noteworthy compounds, including gallic acid, naringin, hesperidin, Tinospora cordifolia, curcumin, nimbin, azadironic nimbionone, nimbionol, nimocinol, exhibited high affinity Mpro favourable binding energy profiles compared current drugs. Although compounds hold potential, further validation vitro vivo experimentation is imperative. Throughout this exploration, emphasized pivotal role biologists, bioinformaticians, biotechnologists driving advancements clinical research therapeutic development. By combining state-of-the-art techniques insights structural biology, search potent been accelerated. collaboration between disciplines holds immense addressing transmissibility virulence SARS-CoV-2.

Language: Английский

Citations

4