Literature DB >> 32320852

Déjà vu: Stimulating open drug discovery for SARS-CoV-2.

Sean Ekins1, Melina Mottin2, Paulo R P S Ramos2, Bruna K P Sousa2, Bruno Junior Neves2, Daniel H Foil3, Kimberley M Zorn3, Rodolpho C Braga4, Megan Coffee5, Christopher Southan6, Ana C Puhl3, Carolina Horta Andrade7.   

Abstract

In the past decade we have seen two major Ebola virus outbreaks in Africa, the Zika virus in Brazil and the Americas and the current pandemic of coronavirus disease (COVID-19), caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). There is a strong sense of déjà vu because there are still no effective treatments. In the COVID-19 pandemic, despite being a new virus, there are already drugs suggested as active in in vitro assays that are being repurposed in clinical trials. Promising SARS-CoV-2 viral targets and computational approaches are described and discussed. Here, we propose, based on open antiviral drug discovery approaches for previous outbreaks, that there could still be gaps in our approach to drug discovery.
Copyright © 2020 Elsevier Ltd. All rights reserved.

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Year:  2020        PMID: 32320852      PMCID: PMC7167229          DOI: 10.1016/j.drudis.2020.03.019

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  64 in total

1.  Repurposing of clinically developed drugs for treatment of Middle East respiratory syndrome coronavirus infection.

Authors:  Julie Dyall; Christopher M Coleman; Brit J Hart; Thiagarajan Venkataraman; Michael R Holbrook; Jason Kindrachuk; Reed F Johnson; Gene G Olinger; Peter B Jahrling; Monique Laidlaw; Lisa M Johansen; Calli M Lear-Rooney; Pamela J Glass; Lisa E Hensley; Matthew B Frieman
Journal:  Antimicrob Agents Chemother       Date:  2014-05-19       Impact factor: 5.191

Review 2.  Ebola Virus: Pathogenesis and Countermeasure Development.

Authors:  Wakako Furuyama; Andrea Marzi
Journal:  Annu Rev Virol       Date:  2019-09-29       Impact factor: 10.431

3.  [Potential antiviral therapeutics for 2019 Novel Coronavirus].

Authors:  H Li; Y M Wang; J Y Xu; B Cao
Journal:  Zhonghua Jie He He Hu Xi Za Zhi       Date:  2020-02-05

4.  Straining the System: Novel Coronavirus (COVID-19) and Preparedness for Concomitant Disasters.

Authors:  Nathaniel Smith; Michael Fraser
Journal:  Am J Public Health       Date:  2020-02-13       Impact factor: 9.308

5.  Ebola Virus Bayesian Machine Learning Models Enable New in Vitro Leads.

Authors:  Manu Anantpadma; Thomas Lane; Kimberley M Zorn; Mary A Lingerfelt; Alex M Clark; Joel S Freundlich; Robert A Davey; Peter B Madrid; Sean Ekins
Journal:  ACS Omega       Date:  2019-01-30

6.  Prophylactic and therapeutic remdesivir (GS-5734) treatment in the rhesus macaque model of MERS-CoV infection.

Authors:  Emmie de Wit; Friederike Feldmann; Jacqueline Cronin; Robert Jordan; Atsushi Okumura; Tina Thomas; Dana Scott; Tomas Cihlar; Heinz Feldmann
Journal:  Proc Natl Acad Sci U S A       Date:  2020-02-13       Impact factor: 11.205

7.  Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation.

Authors:  Daniel Wrapp; Nianshuang Wang; Kizzmekia S Corbett; Jory A Goldsmith; Ching-Lin Hsieh; Olubukola Abiona; Barney S Graham; Jason S McLellan
Journal:  Science       Date:  2020-02-19       Impact factor: 47.728

8.  Persons Evaluated for 2019 Novel Coronavirus - United States, January 2020.

Authors:  Kristina L Bajema; Alexandra M Oster; Olivia L McGovern; Stephen Lindstrom; Mark R Stenger; Tara C Anderson; Cheryl Isenhour; Kevin R Clarke; Mary E Evans; Victoria T Chu; Holly M Biggs; Hannah L Kirking; Susan I Gerber; Aron J Hall; Alicia M Fry; Sara E Oliver
Journal:  MMWR Morb Mortal Wkly Rep       Date:  2020-02-14       Impact factor: 17.586

9.  Repurposing the antimalarial pyronaridine tetraphosphate to protect against Ebola virus infection.

Authors:  Thomas R Lane; Christopher Massey; Jason E Comer; Manu Anantpadma; Joel S Freundlich; Robert A Davey; Peter B Madrid; Sean Ekins
Journal:  PLoS Negl Trop Dis       Date:  2019-11-21

10.  Initial CT findings and temporal changes in patients with the novel coronavirus pneumonia (2019-nCoV): a study of 63 patients in Wuhan, China.

Authors:  Yueying Pan; Hanxiong Guan; Shuchang Zhou; Yujin Wang; Qian Li; Tingting Zhu; Qiongjie Hu; Liming Xia
Journal:  Eur Radiol       Date:  2020-02-13       Impact factor: 7.034

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  33 in total

1.  Machine Learning Models Identify Inhibitors of SARS-CoV-2.

Authors:  Victor O Gawriljuk; Phyo Phyo Kyaw Zin; Ana C Puhl; Kimberley M Zorn; Daniel H Foil; Thomas R Lane; Brett Hurst; Tatyana Almeida Tavella; Fabio Trindade Maranhão Costa; Premkumar Lakshmanane; Jean Bernatchez; Andre S Godoy; Glaucius Oliva; Jair L Siqueira-Neto; Peter B Madrid; Sean Ekins
Journal:  J Chem Inf Model       Date:  2021-08-13       Impact factor: 6.162

Review 2.  Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.

Authors:  Kaifu Gao; Rui Wang; Jiahui Chen; Limei Cheng; Jaclyn Frishcosy; Yuta Huzumi; Yuchi Qiu; Tom Schluckbier; Xiaoqi Wei; Guo-Wei Wei
Journal:  Chem Rev       Date:  2022-05-20       Impact factor: 72.087

3.  Machine Learning for Discovery of New ADORA Modulators.

Authors:  Ana C Puhl; Zhan-Guo Gao; Kenneth A Jacobson; Sean Ekins
Journal:  Front Pharmacol       Date:  2022-06-22       Impact factor: 5.988

Review 4.  Applications of machine learning and artificial intelligence for Covid-19 (SARS-CoV-2) pandemic: A review.

Authors:  Samuel Lalmuanawma; Jamal Hussain; Lalrinfela Chhakchhuak
Journal:  Chaos Solitons Fractals       Date:  2020-06-25       Impact factor: 5.944

5.  Comparing Machine Learning Models for Aromatase (P450 19A1).

Authors:  Kimberley M Zorn; Daniel H Foil; Thomas R Lane; Wendy Hillwalker; David J Feifarek; Frank Jones; William D Klaren; Ashley M Brinkman; Sean Ekins
Journal:  Environ Sci Technol       Date:  2020-11-19       Impact factor: 9.028

6.  The Antiviral Drug Tilorone Is a Potent and Selective Inhibitor of Acetylcholinesterase.

Authors:  Patricia A Vignaux; Eni Minerali; Thomas R Lane; Daniel H Foil; Peter B Madrid; Ana C Puhl; Sean Ekins
Journal:  Chem Res Toxicol       Date:  2021-01-05       Impact factor: 3.739

7.  Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery.

Authors:  Thomas R Lane; Daniel H Foil; Eni Minerali; Fabio Urbina; Kimberley M Zorn; Sean Ekins
Journal:  Mol Pharm       Date:  2020-12-16       Impact factor: 4.939

8.  Prevention of COVID-19 by drug repurposing: rationale from drugs prescribed for mental disorders.

Authors:  Bruno O Villoutreix; Philippe H Beaune; Ryad Tamouza; Rajagopal Krishnamoorthy; Marion Leboyer
Journal:  Drug Discov Today       Date:  2020-06-25       Impact factor: 7.851

Review 9.  Recent advances in drug repurposing using machine learning.

Authors:  Fabio Urbina; Ana C Puhl; Sean Ekins
Journal:  Curr Opin Chem Biol       Date:  2021-07-16       Impact factor: 8.822

10.  A hybrid computational framework for intelligent inter-continent SARS-CoV-2 sub-strains characterization and prediction.

Authors:  Moses Effiong Ekpenyong; Mercy Ernest Edoho; Udoinyang Godwin Inyang; Faith-Michael Uzoka; Itemobong Samuel Ekaidem; Anietie Effiong Moses; Martins Ochubiojo Emeje; Youtchou Mirabeau Tatfeng; Ifiok James Udo; EnoAbasi Deborah Anwana; Oboso Edem Etim; Joseph Ikim Geoffery; Emmanuel Ambrose Dan
Journal:  Sci Rep       Date:  2021-07-15       Impact factor: 4.379

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