Article
Clinical Neurology
Giovanni Oliveros, Charles H. Wallace, Osama Chaudry, Qiao Liu, Yue Qiu, Lei Xie, Patricia Rockwell, Maria E. Figueiredo-Pereira, Peter A. Serrano
Summary: Using multiscale predictive modelling, researchers have identified the multi-target asthma drug ibudilast as a potential repurposed treatment for Alzheimer's disease. Experimental results in a transgenic rat model showed that ibudilast reduced inflammation, plaque and tangle pathology, as well as cognitive deficits. These findings suggest that ibudilast could be an effective treatment option for Alzheimer's disease by targeting multiple pathways.
Review
Biochemistry & Molecular Biology
Saeid Maghsoudi, Bahareh Taghavi Shahraki, Fatemeh Rameh, Masoomeh Nazarabi, Yousef Fatahi, Omid Akhavan, Mohammad Rabiee, Ebrahim Mostafavi, Eder C. Lima, Mohammad Reza Saeb, Navid Rabiee
Summary: This review provides an overview of computational strategies and their applications in drug discovery, with a focus on chemogenomics and drug repositioning as emerging disciplines for coronavirus drug and target discovery. It showcases the special advantages of computer-aided drug discovery methods in rapidly finding drugs for deadly viruses like the coronavirus through molecular docking, chemogenomics, and drug repositioning.
CHEMICAL BIOLOGY & DRUG DESIGN
(2022)
Article
Biology
Siddhant Doshi, Sundeep Prabhakar Chepuri
Summary: Drug repurposing is a method of finding new medical indications for approved drugs. This study introduces a graph neural network drug repurposing model called GDRnet, which efficiently screens a database of approved drugs and predicts potential treatments for novel diseases.
COMPUTERS IN BIOLOGY AND MEDICINE
(2022)
Review
Pharmacology & Pharmacy
Laura Chaffey, Annabell Roberti, David R. Greaves
Summary: Drug repurposing is a promising approach in drug discovery for cardiovascular disease. Chronic inflammation plays a significant role in cardiovascular pathology, and targeting inflammation is a potential therapeutic strategy. However, challenges remain due to off-target effects and long-term conditions. Assessing repurposed anti-inflammatory drugs in cardiovascular clinical trials has shown mixed successes.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Matthew L. Hudson, Ram Samudrala
Summary: Drug repurposing, particularly through shotgun drug repurposing, aims to evaluate the therapeutic potential of existing drugs for multiple clinical indications, using computational analysis platforms like CANDO to model interactions between drugs and protein structures. The study demonstrates that hybrid decision tree pipelines combining bio- and chem-informatics outperform traditional docking-based pipelines, providing evidence that multiple pipelines can enhance drug repurposing predictive capability. The CANDO shotgun drug repurposing platform shows promise in improving drug repurposing efforts by capturing unique signals and enhancing performance through varied docking-based signature generation methods.
Article
Pharmacology & Pharmacy
Dongrong Yi, Quanjie Li, Han Wang, Kai Lv, Ling Ma, Yujia Wang, Jing Wang, Yongxin Zhang, Mingliang Liu, Xiaoyu Li, Jianxun Qi, Yi Shi, George F. Gao, Shan Cen
Summary: Berbamine hydrochloride effectively inhibits the replication of Ebola virus by disrupting the fusion of viral and cellular membranes. Targeting the viral glyco-protein provides a potential strategy for developing anti-Ebola virus drugs, and the repurposing of berbamine hydrochloride holds great promise.
ACTA PHARMACEUTICA SINICA B
(2022)
Review
Biochemical Research Methods
Huimin Luo, Min Li, Mengyun Yang, Fang-Xiang Wu, Yaohang Li, Jianxin Wang
Summary: Drug repositioning, through computational methods, can systematically identify potential drug-target interactions and drug-disease interactions, significantly reducing cost and duration. This review summarizes available biomedical data and public databases, discusses various drug repositioning approaches, and analyzes common data sets and evaluation metrics used in this field.
BRIEFINGS IN BIOINFORMATICS
(2021)
Article
Genetics & Heredity
Zihu Guo, Yingxue Fu, Chao Huang, Chunli Zheng, Ziyin Wu, Xuetong Chen, Shuo Gao, Yaohua Ma, Mohamed Shahen, Yan Li, Pengfei Tu, Jingbo Zhu, Zhenzhong Wang, Wei Xiao, Yonghua Wang
Summary: NOGEA is a method for accurately inferring master genes that control specific diseases by quantitatively calculating their perturbation abilities on directed disease-specific gene networks. The master genes identified by NOGEA have a high reliability for predicting disease-specific initiation events and progression risk, and can be used to extract the underlying information of different diseases, thus revealing mechanisms of disease comorbidity. The approved therapeutic targets are topologically localized in a small neighborhood of master genes in the interactome network, providing a new way for predicting drug-disease associations.
GENOMICS PROTEOMICS & BIOINFORMATICS
(2021)
Correction
Medicine, General & Internal
P. Mbala-Kingebeni
Summary: This article highlights that a misspelled surname of one of the authors has affected the content about Ebola virus transmission.
NEW ENGLAND JOURNAL OF MEDICINE
(2023)
Review
Virology
Ching-Hsuan Liu, Yee-Tung Hu, Shu Hui Wong, Liang-Tzung Lin
Summary: Since the 2014-2016 epidemic, Ebola virus has become a major threat to global health. Despite the approval of several anti-Ebola vaccines and therapeutics, the high fatality rate highlights the need for continuous development of antiviral strategies.
Review
Oncology
Vinayak Palve, Yi Liao, Lily L. Remsing, Uwe Rix
Summary: Drug repurposing is an attractive complementary approach to traditional drug discovery, especially with the increasing demand for new drugs tailored to smaller patient populations. Most targeted drugs are not singularly specific, and some unintended drug off-target effects can lead to beneficial anticancer targets, contributing to novel and promising precision medicine approaches.
SEMINARS IN CANCER BIOLOGY
(2021)
Review
Pharmacology & Pharmacy
Vigneshwaran Namasivayam, Senthikumar Palaniappan, Murugesan Vanangamudi
Summary: Researchers face challenges in developing treatments for emerging and re-emerging epidemic infections. Drug repurposing is a reliable strategy for discovering new antiviral agents quickly and reducing the need for clinical trials.
DRUG DISCOVERY TODAY
(2022)
Article
Oncology
Yao-Yu Hsieh, Jia-Ling Du, Pei-Ming Yang
Summary: By employing a gene expression-based drug repositioning strategy, this study identifies VU-0365114 as a novel type of tubulin inhibitor with broad-spectrum anticancer activity, especially in colorectal cancer cells. It is not limited by multidrug resistance proteins and does not exhibit significant off-target effects.
MOLECULAR ONCOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Sita Sirisha Madugula, Selvaraman Nagamani, Esther Jamir, Lipsa Priyadarsinee, G. Narahari Sastry
Summary: This study applied a polypharmacology guided computational drug repurposing approach to identify 34 drugs with predicted antitubercular and anti-mycobacterial activity, 21 of which are antibiotics and 4 are non-antibiotics. These drugs share similar privileged antimycobacterial drug scaffold.
MOLECULAR DIVERSITY
(2022)
Article
Multidisciplinary Sciences
Xin Liu, Ye Zhang, Lucas D. Ward, Qinghong Yan, Tanggis Bohnuud, Rocio Hernandez, Socheata Lao, Jing Yuan, Fan Fan
Summary: A proteomics-based platform was developed to assess the abundance of off-target proteins, with 2813 proteins selected as the off-target proteome (SOTP) based on genetics and pharmacology evidence. Mass spectrometry was then used to identify 1828 proteins from the SOTP in 4 human cell lines.
SCIENTIFIC REPORTS
(2021)
Meeting Abstract
Oncology
David H. Lee, Bethany K. Asare, Matthew L. Hudson, Rajendram V. Rajnarayanan
Article
Biochemistry & Molecular Biology
Matthew L. Hudson, Ram Samudrala
Summary: Drug repurposing, particularly through shotgun drug repurposing, aims to evaluate the therapeutic potential of existing drugs for multiple clinical indications, using computational analysis platforms like CANDO to model interactions between drugs and protein structures. The study demonstrates that hybrid decision tree pipelines combining bio- and chem-informatics outperform traditional docking-based pipelines, providing evidence that multiple pipelines can enhance drug repurposing predictive capability. The CANDO shotgun drug repurposing platform shows promise in improving drug repurposing efforts by capturing unique signals and enhancing performance through varied docking-based signature generation methods.
