Artificial intelligence in drug discovery: a mirage or an oasis?
Drug Discov Today. 2024 Apr 23:103994. doi: 10.1016/j.drudis.2024.103994. Online ahead of print.NO ABSTRACTPMID:38663577 | DOI:10.1016/j.drudis.2024.103994 (Source: Drug Discovery Today)
Source: Drug Discovery Today - April 25, 2024 Category: Drugs & Pharmacology Authors: Aaftaab Sethi Brijesh Rathi Source Type: research
Multifaceted therapeutic applications of biomimetic nanovaccines
Drug Discov Today. 2024 Apr 23:103991. doi: 10.1016/j.drudis.2024.103991. Online ahead of print.ABSTRACTThe development of vaccines has had a crucial role in preventing and controlling infectious diseases on a global scale. Innovative formulations of biomimetic vaccines inspired by natural defense mechanisms combine long-term antigen stability, immunogenicity, and targeted delivery with sustained release. Types of biomimetic nanoparticle (NP) include bacterial outer membrane vesicles (OMVs), cell membrane-decorated NPs, liposomes, and exosomes. These approaches have shown potential for cancer immunotherapy, and in antibact...
Source: Drug Discovery Today - April 25, 2024 Category: Drugs & Pharmacology Authors: Dev Chheda Sukhen Shete Tanisha Tanisha Sumedh Devrao Bahadure Sunitha Sampathi Vijayabhaskarreddy Junnuthula Sathish Dyawanapelly Source Type: research
Unlocking the potential of generative AI in drug discovery
Drug Discov Today. 2024 Apr 23:103992. doi: 10.1016/j.drudis.2024.103992. Online ahead of print.ABSTRACTArtificial intelligence (AI) is revolutionizing drug discovery by enhancing precision, reducing timelines and costs, and enabling AI-driven computer-aided drug design. This review focuses on recent advancements in deep generative models (DGMs) for de novo drug design, exploring diverse algorithms and their profound impact. It critically analyses the challenges that are intricately interwoven into these technologies, proposing strategies to unlock their full potential. It features case studies of both successes and failur...
Source: Drug Discovery Today - April 25, 2024 Category: Drugs & Pharmacology Authors: Amit Gangwal Antonio Lavecchia Source Type: research
Current status of drugs targeting PDGF/PDGFR
Drug Discov Today. 2024 Apr 23:103989. doi: 10.1016/j.drudis.2024.103989. Online ahead of print.ABSTRACTAs an important proangiogenic factor, platelet-derived growth factor (PDGF) and its receptor PDGFR are highly expressed in a variety of tumors, fibrosis, cardiovascular and neurodegenerative diseases. Targeting the PDGF/PDGFR pathway is therefore a promising therapeutic strategy. At present, a variety of PDGF/PDGFR targeted drugs with potential therapeutic effects have been developed, mainly including PDGF agonists, inhibitors targeting PDGFR and proteolysis targeting chimera (PROTACs). This review clarifies the structur...
Source: Drug Discovery Today - April 25, 2024 Category: Drugs & Pharmacology Authors: Jing-Yan Ai Chen-Fu Liu Wen Zhang Guo-Wu Rao Source Type: research
From GPUs to AI and quantum: three waves of acceleration in bioinformatics
Drug Discov Today. 2024 Apr 23:103990. doi: 10.1016/j.drudis.2024.103990. Online ahead of print.ABSTRACTThe enormous growth in the amount of data generated by the life sciences is continuously shifting the field from model-driven science towards data-driven science. The need for efficient processing has led to the adoption of massively parallel accelerators such as graphics processing units (GPUs). Consequently, the development of bioinformatics methods nowadays often heavily depends on the effective use of these powerful technologies. Furthermore, progress in computational techniques and architectures continues to be high...
Source: Drug Discovery Today - April 25, 2024 Category: Drugs & Pharmacology Authors: Bertil Schmidt Andreas Hildebrandt Source Type: research
The present state and challenges of active learning in drug discovery
Drug Discov Today. 2024 Apr 18:103985. doi: 10.1016/j.drudis.2024.103985. Online ahead of print.ABSTRACTActive learning (AL) is an iterative feedback process that efficiently identifies valuable data within vast chemical space, even with limited labeled data. This characteristic renders it a valuable approach to tackle the ongoing challenges faced in drug discovery, such as the ever-expanding explore space and the limitations of labeled data. Consequently, AL is increasingly gaining prominence in the field of drug development. In this paper, we comprehensively review the application of AL at all stages of drug discovery, i...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Lei Wang Zhenran Zhou Xixi Yang Shaohua Shi Xiangxiang Zeng Dongsheng Cao Source Type: research
Growing value of data standardization: Allotrope Foundation Connect Workshop Proceedings
Drug Discov Today. 2024 Apr 18:103988. doi: 10.1016/j.drudis.2024.103988. Online ahead of print.ABSTRACTRecent Allotrope Foundation (AF) Connect Workshops (2021-2023) showcased some of the latest advancements in data standardization for analytical data in the pharmaceutical industry. These workshops demonstrated the adaption of two key technologies, the Allotrope Data Format (ADF) and the Allotrope Simple Model (ASM), which streamline instrument data representation and terminology to enhance interoperability across systems. Notably, ASM has facilitated broader adoption of the standard. The increasing significance of data-d...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Henning Kayser Miu-Ling Lau Source Type: research
A new era of antibody discovery: an in-depth review of AI-driven approaches
Drug Discov Today. 2024 Apr 18:103984. doi: 10.1016/j.drudis.2024.103984. Online ahead of print.ABSTRACTGiven their high affinity and specificity for a range of macromolecules, antibodies are widely used in the treatment of autoimmune diseases, cancers, inflammatory diseases, and Alzheimer's disease (AD). Traditional experimental methods are time-consuming, expensive, and labor-intensive. Recent advances in artificial intelligence (AI) technologies provide complementary methods that can reduce the time and costs required for antibody design by minimizing failures and increasing the success rate of experimental tests. In th...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Jin Cheng Tianjian Liang Xiang-Qun Xie Zhiwei Feng Li Meng Source Type: research
Targeting EED as a key PRC2 complex mediator toward novel epigenetic therapeutics
Drug Discov Today. 2024 Apr 18:103986. doi: 10.1016/j.drudis.2024.103986. Online ahead of print.ABSTRACTEED within the PRC2 complex is crucial for chromatin regulation, particularly in tumor development, such that its inhibition is a promising epigenetic therapeutic strategy. Significant advancement in PRC2 inhibitor development has been achieved with an approved EZH2 inhibitor in the market and with others in clinical trials. However, current EZH2 inhibitors are limited to specific blood cancers and encounter therapeutic resistance. EED stabilizes PRC2 and enhances its activity through unique allosteric mechanisms, thereb...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Qichao Bao Anil Kumar Daqing Wu Jia Zhou Source Type: research
The present state and challenges of active learning in drug discovery
Drug Discov Today. 2024 Apr 18:103985. doi: 10.1016/j.drudis.2024.103985. Online ahead of print.ABSTRACTActive learning (AL) is an iterative feedback process that efficiently identifies valuable data within vast chemical space, even with limited labeled data. This characteristic renders it a valuable approach to tackle the ongoing challenges faced in drug discovery, such as the ever-expanding explore space and the limitations of labeled data. Consequently, AL is increasingly gaining prominence in the field of drug development. In this paper, we comprehensively review the application of AL at all stages of drug discovery, i...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Lei Wang Zhenran Zhou Xixi Yang Shaohua Shi Xiangxiang Zeng Dongsheng Cao Source Type: research
Growing value of data standardization: Allotrope Foundation Connect Workshop Proceedings
Drug Discov Today. 2024 Apr 18:103988. doi: 10.1016/j.drudis.2024.103988. Online ahead of print.ABSTRACTRecent Allotrope Foundation (AF) Connect Workshops (2021-2023) showcased some of the latest advancements in data standardization for analytical data in the pharmaceutical industry. These workshops demonstrated the adaption of two key technologies, the Allotrope Data Format (ADF) and the Allotrope Simple Model (ASM), which streamline instrument data representation and terminology to enhance interoperability across systems. Notably, ASM has facilitated broader adoption of the standard. The increasing significance of data-d...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Henning Kayser Miu-Ling Lau Source Type: research
A new era of antibody discovery: an in-depth review of AI-driven approaches
Drug Discov Today. 2024 Apr 18:103984. doi: 10.1016/j.drudis.2024.103984. Online ahead of print.ABSTRACTGiven their high affinity and specificity for a range of macromolecules, antibodies are widely used in the treatment of autoimmune diseases, cancers, inflammatory diseases, and Alzheimer's disease (AD). Traditional experimental methods are time-consuming, expensive, and labor-intensive. Recent advances in artificial intelligence (AI) technologies provide complementary methods that can reduce the time and costs required for antibody design by minimizing failures and increasing the success rate of experimental tests. In th...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Jin Cheng Tianjian Liang Xiang-Qun Xie Zhiwei Feng Li Meng Source Type: research
Targeting EED as a key PRC2 complex mediator toward novel epigenetic therapeutics
Drug Discov Today. 2024 Apr 18:103986. doi: 10.1016/j.drudis.2024.103986. Online ahead of print.ABSTRACTEED within the PRC2 complex is crucial for chromatin regulation, particularly in tumor development, such that its inhibition is a promising epigenetic therapeutic strategy. Significant advancement in PRC2 inhibitor development has been achieved with an approved EZH2 inhibitor in the market and with others in clinical trials. However, current EZH2 inhibitors are limited to specific blood cancers and encounter therapeutic resistance. EED stabilizes PRC2 and enhances its activity through unique allosteric mechanisms, thereb...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Qichao Bao Anil Kumar Daqing Wu Jia Zhou Source Type: research
The present state and challenges of active learning in drug discovery
Drug Discov Today. 2024 Apr 18:103985. doi: 10.1016/j.drudis.2024.103985. Online ahead of print.ABSTRACTActive learning (AL) is an iterative feedback process that efficiently identifies valuable data within vast chemical space, even with limited labeled data. This characteristic renders it a valuable approach to tackle the ongoing challenges faced in drug discovery, such as the ever-expanding explore space and the limitations of labeled data. Consequently, AL is increasingly gaining prominence in the field of drug development. In this paper, we comprehensively review the application of AL at all stages of drug discovery, i...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Lei Wang Zhenran Zhou Xixi Yang Shaohua Shi Xiangxiang Zeng Dongsheng Cao Source Type: research
Growing value of data standardization: Allotrope Foundation Connect Workshop Proceedings
Drug Discov Today. 2024 Apr 18:103988. doi: 10.1016/j.drudis.2024.103988. Online ahead of print.ABSTRACTRecent Allotrope Foundation (AF) Connect Workshops (2021-2023) showcased some of the latest advancements in data standardization for analytical data in the pharmaceutical industry. These workshops demonstrated the adaption of two key technologies, the Allotrope Data Format (ADF) and the Allotrope Simple Model (ASM), which streamline instrument data representation and terminology to enhance interoperability across systems. Notably, ASM has facilitated broader adoption of the standard. The increasing significance of data-d...
Source: Drug Discovery Today - April 20, 2024 Category: Drugs & Pharmacology Authors: Henning Kayser Miu-Ling Lau Source Type: research
