Publication de 6 numéros par an
ISSN Imprimer: 0278-940X
ISSN En ligne: 1943-619X
Indexed in
Molecular Networks in Drug Discovery
RÉSUMÉ
Despite the dramatic increase of global spending on drug discovery and development, the approval rate for new drugs is declining, due chiefly to toxicity and undesirable side effects. Simultaneously, the growth of available biomedical data in the postgenomic era has provided fresh insight into the nature of redundant and compensatory drug-target pathways. This stagnation in drug approval can be overcome by the novel concept of polypharmacology, which is built on the fundamental concept that drugs modulate multiple targets. Polypharmacology can be studied with molecular networks that integrate multidisciplinary concepts including cheminformatics, bioinformatics, and systems biology. In silico techniques such as structure- and ligand-based approaches can be employed to study molecular networks and reduce costs by predicting adverse drug reactions and toxicity in the early stage of drug development. By amalgamating strides in this informatics-driven era, designing polypharmacological drugs with molecular network technology exemplifies the next generation of therapeutics with less of-target properties and toxicity. In this review, we will first describe the challenges in drug discovery, and showcase successes using multitarget drugs toward diseases such as cancer and mood disorders. We will then focus on recent development of in silico polypharmacology predictions. Finally, our technologies in molecular network analysis will be presented.
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Reddy A Srinivas, Zhang Shuxing, Polypharmacology: drug discovery for the future, Expert Review of Clinical Pharmacology, 6, 1, 2013. Crossref
-
Panagiotou G., Taboureau O., The impact of network biology in pharmacology and toxicology, SAR and QSAR in Environmental Research, 23, 3-4, 2012. Crossref
-
Srinivas Reddy Alla, Chen Lu, Zhang Shuxing, Structure-BasedDe NovoDrug Design, in De novo Molecular Design, 2013. Crossref
-
Zheng Chunli, Wang Jinan, Liu Jianling, Pei Mengjie, Huang Chao, Wang Yonghua, System-level multi-target drug discovery from natural products with applications to cardiovascular diseases, Molecular Diversity, 18, 3, 2014. Crossref
-
Poornima Paramasivan, Kumar Jothi Dinesh, Zhao Qiaoli, Blunder Martina, Efferth Thomas, Network pharmacology of cancer: From understanding of complex interactomes to the design of multi-target specific therapeutics from nature, Pharmacological Research, 111, 2016. Crossref
-
Lee Hyeong-Min, Kim Yuna, Drug Repurposing Is a New Opportunity for Developing Drugs against Neuropsychiatric Disorders, Schizophrenia Research and Treatment, 2016, 2016. Crossref
-
Arora Himanshu, Qureshi Rehana, Rizvi MA, Shrivastava Sharad, Parihar Mordhwaj S., Study of apoptosis-related interactions in colorectal cancer, Tumor Biology, 37, 11, 2016. Crossref
-
Xu Lingling, Deng Yanping, Feng Lixin, Li Defang, Chen Xiaoyan, Ma Chao, Liu Xuan, Yin Jun, Yang Min, Teng Fukang, Wu Wanying, Guan Shuhong, Jiang Baohong, Guo Dean, Gaetano Carlo, Cardio-Protection of Salvianolic Acid B through Inhibition of Apoptosis Network, PLoS ONE, 6, 9, 2011. Crossref
-
Schieber Tiago A., Carpi Laura, Díaz-Guilera Albert, Pardalos Panos M., Masoller Cristina, Ravetti Martín G., Quantification of network structural dissimilarities, Nature Communications, 8, 1, 2017. Crossref
-
Pastrello Chiara, Otasek David, Fortney Kristen, Agapito Giuseppe, Cannataro Mario, Shirdel Elize, Jurisica Igor, Lewitter Fran, Visual Data Mining of Biological Networks: One Size Does Not Fit All, PLoS Computational Biology, 9, 1, 2013. Crossref
-
Bottegoni Giovanni, Cavalli Andrea, Computational Methods in Multitarget Drug Discovery, in Design of Hybrid Molecules for Drug Development, 2017. Crossref
-
Litten Raye Z., Falk Daniel E., Ryan Megan L., Fertig Joanne, Leggio Lorenzo, Advances in Pharmacotherapy Development: Human Clinical Studies, in The Neuropharmacology of Alcohol, 248, 2017. Crossref
-
Fossépré Mathieu, Leherte Laurence, Laaksonen Aatto, Vercauteren Daniel P., Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science, in Biomolecular Simulations in Structure-Based Drug Discovery, 2018. Crossref
-
Litten Raye Z., Falk Daniel E., Ryan Megan L., Fertig Joanne, Leggio Lorenzo, Five Priority Areas for Improving Medications Development for Alcohol Use Disorder and Promoting Their Routine Use in Clinical Practice, Alcoholism: Clinical and Experimental Research, 44, 1, 2020. Crossref
-
Sacan Ahmet, Ekins Sean, Kortagere Sandhya, Applications and Limitations of In Silico Models in Drug Discovery, in Bioinformatics and Drug Discovery, 910, 2012. Crossref
-
Kortagere Sandhya, Lill Markus, Kerrigan John, Role of Computational Methods in Pharmaceutical Sciences, in Computational Toxicology, 929, 2012. Crossref
-
Kalkman Hans O., Novel Treatment Targets Based on Insights in the Etiology of Depression: Role of IL-6 Trans-Signaling and Stress-Induced Elevation of Glutamate and ATP, Pharmaceuticals, 12, 3, 2019. Crossref
-
Kittanakom Saranya, Arnoldo Anthony, Brown Kevin R, Wallace Iain, Kunavisarut Tada, Torti Dax, Heisler Lawrence E, Surendra Anuradha, Moffat Jason, Giaever Guri, Nislow Corey, Miniature Short Hairpin RNA Screens to Characterize Antiproliferative Drugs, G3 Genes|Genomes|Genetics, 3, 8, 2013. Crossref
-
Prakash Annamneedi Venkata, Park Jun Woo, Seong Ju-Won, Kang Tae Jin, Repositioned Drugs for Inflammatory Diseases such as Sepsis, Asthma, and Atopic Dermatitis, Biomolecules & Therapeutics, 28, 3, 2020. Crossref
-
Kotta Jasvidianto C., Lestari Agatha B. S., Candrasari Damiana S., Hariono Maywan, Sanderson Hans, Medicinal Effect, In Silico Bioactivity Prediction, and Pharmaceutical Formulation of Ageratum conyzoides L.: A Review, Scientifica, 2020, 2020. Crossref
-
Choi Hayoung, Shen Yifei, Shi Yuanming, Comparing Massive Networks via Moment Matrices, 2018 IEEE International Symposium on Information Theory (ISIT), 2018. Crossref
-
Khanal Pukar, Patil B. M., Consolidation of network and experimental pharmacology to divulge the antidiabetic action of Ficus benghalensis L. bark, 3 Biotech, 11, 5, 2021. Crossref
-
Raghav Pawan Kumar, Mann Zoya, Pandey Pranav K., Mohanty Sujata, Systems Biology Resources and Their Applications to Understand the Cancer, in Handbook of Oxidative Stress in Cancer: Mechanistic Aspects, 2021. Crossref
-
Chen Yu, Palczewski Krzysztof, Systems Pharmacology Links GPCRs with Retinal Degenerative Disorders, Annual Review of Pharmacology and Toxicology, 56, 1, 2016. Crossref
-
Reddy A. Srinivas, Tan Zhi, Zhang Shuxing, Curation and Analysis of Multitargeting Agents for Polypharmacological Modeling, Journal of Chemical Information and Modeling, 54, 9, 2014. Crossref
-
Zhang Aihua, Sun Hui, Yang Bo, Wang Xijun, Predicting new molecular targets for rhein using network pharmacology, BMC Systems Biology, 6, 1, 2012. Crossref
-
Raghav Pawan Kumar, Mann Zoya, Pandey Pranav K., Mohanty Sujata, Systems Biology Resources and Their Applications to Understand the Cancer, in Handbook of Oxidative Stress in Cancer: Mechanistic Aspects, 2022. Crossref
-
Vo Dat T., Abdelmohsen Kotb, Martindale Jennifer L., Qiao Mei, Tominaga Kumiko, Burton Tarea L., Gelfond Jonathan A.L., Brenner Andrew J., Patel Vyomesh, Trageser Daniel, Scheffler Björn, Gorospe Myriam, Penalva Luiz O.F., The Oncogenic RNA-Binding Protein Musashi1 Is Regulated by HuR via mRNA Translation and Stability in Glioblastoma Cells, Molecular Cancer Research, 10, 1, 2012. Crossref
-
Johns Margaret A., Russ Andreas, Fu Haian, Current Drug Targets and the Druggable Genome, in Chemical Genomics, 2012. Crossref
-
Ortíz Cecilia, Ruatta Santiago, Comini Marcelo, Introduction to Target Validation, in Drug Target Selection and Validation, 1, 2022. Crossref