In-silico evaluation of natural alkaloids against the main protease and spike glycoprotein as potential therapeutic agents for SARS-CoV-2 DOI Creative Commons
Mohibullah Shah,

Ramsha Yamin,

Iqra Ahmad

et al.

PLoS ONE, Journal Year: 2024, Volume and Issue: 19(1), P. e0294769 - e0294769

Published: Jan. 4, 2024

Severe Acute Respiratory Syndrome Corona Virus (SARS-CoV-2) is the causative agent of COVID-19 pandemic, which has resulted in global fatalities since late December 2019. Alkaloids play a significant role drug design for various antiviral diseases, makes them viable candidates treating COVID-19. To identify potential agents, 102 known alkaloids were subjected to docking studies against two key targets SARS-CoV-2, namely spike glycoprotein and main protease. The vital mediating viral entry into host cells, protease plays crucial replication; therefore, they serve as compelling therapeutic intervention combating disease. From selection alkaloids, top 6 dual inhibitory compounds, liensinine, neferine, isoliensinine, fangchinoline, emetine, acrimarine F, emerged lead compounds with favorable docked scores. Interestingly, most shared bisbenzylisoquinoline alkaloid framework belong Nelumbo nucifera, commonly lotus plant. Docking analysis was conducted by considering active site residues selected proteins. stability three ligands receptor proteins further validated through dynamic simulation analysis. leads underwent ADMET profiling, bioactivity score analysis, evaluation drug-likeness physicochemical properties. Neferine demonstrated particularly strong affinity binding, -7.5025 kcal/mol -10.0245 glycoprotein, therefore interaction both target Of emetine fangchinoline lowest toxicity high LD50 values. These may support body's defense reduce symptoms their numerous biological potentials, even though some properties naturally point direct nature. findings demonstrate promising anti-COVID-19 six making design. This study will be beneficial effective discovery negligible side effects.

Language: Английский

Mpox (formerly monkeypox): pathogenesis, prevention and treatment DOI Creative Commons
Junjie Lu, Hui Xing, Chunhua Wang

et al.

Signal Transduction and Targeted Therapy, Journal Year: 2023, Volume and Issue: 8(1)

Published: Dec. 27, 2023

In 2022, a global outbreak of Mpox (formerly monkeypox) occurred in various countries across Europe and America rapidly spread to more than 100 regions. The World Health Organization declared the be public health emergency international concern due rapid virus. Consequently, nations intensified their efforts explore treatment strategies aimed at combating infection its dissemination. Nevertheless, available therapeutic options for virus remain limited. So far, only few numbers antiviral compounds have been approved by regulatory authorities. Given high mutability virus, certain mutant strains shown resistance existing pharmaceutical interventions. This highlights urgent need develop novel drugs that can combat both drug potential threat bioterrorism. Currently, there is lack comprehensive literature on pathophysiology Mpox. To address this issue, we conducted review covering physiological pathological processes infection, summarizing latest progress anti-Mpox drugs. Our analysis encompasses currently employed clinical settings, as well newly identified small-molecule antibody displaying efficacy against Furthermore, gained valuable insights from process development, including repurposing drugs, discovery targets driven artificial intelligence, preclinical development. purpose provide readers with overview current knowledge

Language: Английский

Citations

71

Summary of ChatGPT-Related Research and Perspective Towards the Future of Large Language Models DOI Creative Commons
Yiheng Liu,

Tianle Han,

Siyuan Ma

et al.

arXiv (Cornell University), Journal Year: 2023, Volume and Issue: unknown

Published: Jan. 1, 2023

This paper presents a comprehensive survey of ChatGPT-related (GPT-3.5 and GPT-4) research, state-of-the-art large language models (LLM) from the GPT series, their prospective applications across diverse domains. Indeed, key innovations such as large-scale pre-training that captures knowledge entire world wide web, instruction fine-tuning Reinforcement Learning Human Feedback (RLHF) have played significant roles in enhancing LLMs' adaptability performance. We performed an in-depth analysis 194 relevant papers on arXiv, encompassing trend analysis, word cloud representation, distribution various application The findings reveal increasing interest predominantly centered direct natural processing applications, while also demonstrating considerable potential areas ranging education history to mathematics, medicine, physics. study endeavors furnish insights into ChatGPT's capabilities, implications, ethical concerns, offer direction for future advancements this field.

Language: Английский

Citations

68

Chatbots, ChatGPT, and Scholarly Manuscripts: WAME Recommendations on ChatGPT and Chatbots in relation to scholarly publications DOI Creative Commons
Chris Zielinski, Margaret A. Winker, Rakesh Aggarwal

et al.

The National Medical Journal of India, Journal Year: 2023, Volume and Issue: 36, P. 1 - 4

Published: July 18, 2023

Language: Английский

Citations

62

The role of an open artificial intelligence platform in modern neurosurgical education: a preliminary study DOI
Umut Tan Sevgi, Gökberk Erol, Yücel Doğruel

et al.

Neurosurgical Review, Journal Year: 2023, Volume and Issue: 46(1)

Published: April 14, 2023

Language: Английский

Citations

56

ChatGPT and global public health: Applications, challenges, ethical considerations and mitigation strategies DOI Creative Commons
Ateeb Ahmad Parray,

Zuhrat Mahfuza Inam,

Diego Ramonfaur

et al.

Global Transitions, Journal Year: 2023, Volume and Issue: 5, P. 50 - 54

Published: Jan. 1, 2023

The advancement of deep learning and artificial intelligence has resulted in the development state-of-the-art language models, such as ChatGPT. This technology can analyze large amounts data, identify patterns, assist analysis understanding risk factors for diseases. Despite its potential, applications, challenges, ethical considerations have not been yet fully explored global health research. paper examines applications ChatGPT research, assesses challenges use, proposes mitigation strategies. Additionally, it describes around use research suggests potential avenues addressing these issues. summarizes that is crucial to understand capabilities limitations this order realize ensure responsible integration into

Language: Английский

Citations

47

Artificial Intelligence (AI) Applications in Drug Discovery and Drug Delivery: Revolutionizing Personalized Medicine DOI Creative Commons
Dolores R. Serrano,

Francis C. Luciano,

Brayan J. Anaya

et al.

Pharmaceutics, Journal Year: 2024, Volume and Issue: 16(10), P. 1328 - 1328

Published: Oct. 14, 2024

Artificial intelligence (AI) encompasses a broad spectrum of techniques that have been utilized by pharmaceutical companies for decades, including machine learning, deep and other advanced computational methods. These innovations unlocked unprecedented opportunities the acceleration drug discovery delivery, optimization treatment regimens, improvement patient outcomes. AI is swiftly transforming industry, revolutionizing everything from development to personalized medicine, target identification validation, selection excipients, prediction synthetic route, supply chain optimization, monitoring during continuous manufacturing processes, or predictive maintenance, among others. While integration promises enhance efficiency, reduce costs, improve both medicines health, it also raises important questions regulatory point view. In this review article, we will present comprehensive overview AI's applications in covering areas such as discovery, safety, more. By analyzing current research trends case studies, aim shed light on transformative impact industry its broader implications healthcare.

Language: Английский

Citations

42

Advances in artificial intelligence for drug delivery and development: A comprehensive review DOI
Amol D. Gholap, Md Jasim Uddin, Md. Faiyazuddin

et al.

Computers in Biology and Medicine, Journal Year: 2024, Volume and Issue: 178, P. 108702 - 108702

Published: June 7, 2024

Language: Английский

Citations

41

How successful are AI-discovered drugs in clinical trials? A first analysis and emerging lessons DOI Creative Commons

Madura K P Jayatunga,

Margaret Ayers,

Lotte Bruens

et al.

Drug Discovery Today, Journal Year: 2024, Volume and Issue: 29(6), P. 104009 - 104009

Published: April 30, 2024

AI techniques are making inroads into the field of drug discovery. As a result, growing number drugs and vaccines have been discovered using AI. However, questions remain about success these molecules in clinical trials. To address questions, we conducted first analysis pipelines AI-native Biotech companies. In Phase I find AI-discovered an 80–90% rate, substantially higher than historic industry averages. This suggests, argue, that is highly capable designing or identifying with drug-like properties. II rate ∼40%, albeit on limited sample size, comparable to Our findings highlight early signs potential for molecules.

Language: Английский

Citations

34

Tribulations and future opportunities for artificial intelligence in precision medicine DOI Creative Commons
Claudio Carini, Attila A. Seyhan

Journal of Translational Medicine, Journal Year: 2024, Volume and Issue: 22(1)

Published: April 30, 2024

Abstract Upon a diagnosis, the clinical team faces two main questions: what treatment, and at dose? Clinical trials' results provide basis for guidance support official protocols that clinicians use to base their decisions. However, individuals do not consistently demonstrate reported response from relevant trials. The decision complexity increases with combination treatments where drugs administered together can interact each other, which is often case. Additionally, individual's treatment varies changes in condition. In practice, drug dose selection depend significantly on medical protocol team's experience. As such, are inherently varied suboptimal. Big data Artificial Intelligence (AI) approaches have emerged as excellent decision-making tools, but multiple challenges limit application. AI rapidly evolving dynamic field potential revolutionize various aspects of human life. has become increasingly crucial discovery development. enhances across different disciplines, such medicinal chemistry, molecular cell biology, pharmacology, pathology, practice. addition these, contributes patient population stratification. need healthcare evident it aids enhancing accuracy ensuring quality care necessary effective treatment. pivotal improving success rates increasing significance discovery, development, trials underscored by many scientific publications. Despite numerous advantages AI, advancing Precision Medicine (PM) remote monitoring, unlocking its full requires addressing fundamental concerns. These concerns include quality, lack well-annotated large datasets, privacy safety issues, biases algorithms, legal ethical challenges, obstacles related cost implementation. Nevertheless, integrating medicine will improve diagnostic outcomes, contribute more efficient delivery, reduce costs, facilitate better experiences, making sustainable. This article reviews applications development sustainable, highlights limitations applying AI.

Language: Английский

Citations

33

Artificial intelligence for cardiovascular disease risk assessment in personalised framework: a scoping review DOI

Manasvi Singh,

Ashish Kumar,

Narendra N. Khanna

et al.

EClinicalMedicine, Journal Year: 2024, Volume and Issue: 73, P. 102660 - 102660

Published: May 27, 2024

Language: Английский

Citations

28