Topic 04 -- Abstracts with Biological Entities (English) - 75 Topics / Sub-Topic Model 15 - 15 Topics

cite ad title authors publish year publish time dataset abstract mentions covid pmcid pubmed id doi cord uid topic weight Similarity scispacy Similarity specter
1 Fara_2007 Integration of virtual and physical screening Fara, Dan C.; Oprea, Tudor I.; Prossnitz, Eric R.; Bologa, Cristian G.; Edwards, Bruce S.; Sklar, Larry A. 2007 2007-02-28 PMC N PMC7105924 10.1016/j.ddtec.2006.11.003 ulci5n8t 0.898340 Chiba_2012, Kumar_2015, Lee_H_2014, Muegge_2007
2 Zoete_2009 Docking, virtual high throughput screening and in silico fragment-based drug design Zoete, Vincent; Grosdidier, Aurélien; Michielin, Olivier 2009 2009-01-21 PMC N PMC3823351 19183238.0 10.1111/j.1582-4934.2008.00665.x xmbzmeo4 0.852755 Park_2012, Kumar_2015 Murgueitio_2012, Kumar_2015, Mitchell_2011, Chiba_2012
3 Muegge_2007 Advances in virtual screening Muegge, Ingo; Oloff, Scott 2007 2007-02-28 PMC N PMC7105922 10.1016/j.ddtec.2006.12.002 6592zctb 0.839992 Fara_2007, Kumar_2015, Chiba_2012, Murgueitio_2012
4 Ma_H_2006 Chemical microarray: a new tool for drug screening and discovery Ma, Haiching; Horiuchi, Kurumi Y. 2006 2006-07-31 None N PMC2577215 16793536.0 10.1016/j.drudis.2006.05.002 0smev8vt 0.804075 Chiba_2012, van_der_Kooy_2013
5 Prada-Gracia_2016 Application of computational methods for anticancer drug discovery, design, and optimization Prada-Gracia, Diego; Huerta-Yépez, Sara; Moreno-Vargas, Liliana M. 2016 2016-12-31 PMC N PMC7154613 10.1016/j.bmhime.2017.11.040 jlol01b8 0.793923 Dove_2004, Prada-Gracia_2016 Prada-Gracia_2016, Chiba_2012, van_der_Kooy_2013, Tang_2020
6 Lee_H_2014 Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings Lee, Hyun; Mittal, Anuradha; Patel, Kavankumar; Gatuz, Joseph L.; Truong, Lena; Torres, Jaime; Mulhearn, Debbie C.; Johnson, Michael E. 2014 2014-01-01 None N PMC3971864 24332657.0 10.1016/j.bmc.2013.11.041 8fwxa8um 0.790425 Park_2012
7 Chiba_2012 Protein Reporter Bioassay Systems for the Phenotypic Screening of Candidate Drugs: A Mouse Platform for Anti-Aging Drug Screening Chiba, Takuya; Tsuchiya, Tomoshi; Mori, Ryoichi; Shimokawa, Isao 2012 2012-02-07 COMM-USE N PMC3304132 22438730.0 10.3390/s120201648 s50g754b 0.787044 Park_2012 van_der_Kooy_2013, Patel_2012
8 Pang_2006 In Silico Drug Discovery: Solving the “Target‐rich and Lead‐poor” Imbalance Using the Genome‐to‐drug‐lead Paradigm Pang, Y P 2006 2006-12-14 PMC N PMC7162381 17185996.0 10.1038/sj.clpt.6100030 e09fyykq 0.770797 Dove_2004
9 Rollinger_2008 Virtual screening for the discovery of bioactive natural products Rollinger, Judith M.; Stuppner, Hermann; Langer, Thierry 2008 2008-01-01 PMC N PMC7124045 18084917.0 10.1007/978-3-7643-8117-2_6 9bfchw4u 0.770249 Chiba_2012, Kumar_2015
10 Prada-Gracia_2016 Application of computational methods for anticancer drug discovery, design, and optimization Prada-Gracia, Diego; Huerta-Yépez, Sara; Moreno-Vargas, Liliana M. 2016 2016-12-31 PMC N PMC7110968 29421286.0 10.1016/j.bmhimx.2016.10.006 rp1vvwav 0.768884 Dove_2004, Prada-Gracia_2016 Prada-Gracia_2016, Chiba_2012, van_der_Kooy_2013, Tang_2020
11 Mitchell_2011 Large-scale integrated super-computing platform for next generation virtual drug discovery Mitchell, Wayne; Matsumoto, Shunji 2011 2011-08-31 PMC N PMC7108376 21723773.0 10.1016/j.cbpa.2011.06.005 f8oxkz9g 0.764431 Park_2012 Kumar_2015, Chiba_2012, Murgueitio_2012
12 Lin_X_2020 A Review on Applications of Computational Methods in Drug Screening and Design Lin, Xiaoqian; Li, Xiu; Lin, Xubo 2020 2020-03-18 COMM-USE N PMC7144386 32197324.0 10.3390/molecules25061375 xurmzmwj 0.739126 Park_2012 Kumar_2015, Chiba_2012
13 Park_2012 Virtual Screening for RNA-Interacting Small Molecules Park, Hyun-Ju; Park, So-Jung 2012 2012-08-24 PMC N PMC7123052 10.1007/978-1-4614-3991-2_12 l36rzqnx 0.697624 Kumar_2015 Kumar_2015, Chiba_2012
14 Kumar_2015 Hierarchical virtual screening approaches in small molecule drug discovery Kumar, Ashutosh; Zhang, Kam Y.J. 2015 2015-01-01 PMC N PMC7129923 25072167.0 10.1016/j.ymeth.2014.07.007 8l1yg8vm 0.671999 Park_2012, Murgueitio_2012, Zoete_2009 Chiba_2012, Murgueitio_2012, Mitchell_2011, Rollinger_2008
15 Makara_2005 Improving success rates for lead generation using affinity binding technologies Makara, Gergely M; Athanasopoulos, John 2005 2005-12-31 PMC N PMC7126921 16257522.0 10.1016/j.copbio.2005.10.007 g60iybhk 0.670794 Park_2012 Chiba_2012, Mitchell_2011, Kumar_2015
16 Lee_H_2012 Reducing agents affect inhibitory activities of compounds: Results from multiple drug targets Lee, Hyun; Torres, Jaime; Truong, Lena; Chaudhuri, Rima; Mittal, Anuradha; Johnson, Michael E. 2012 2012-04-01 None N PMC3299889 22310499.0 10.1016/j.ab.2012.01.006 g43ytph0 0.665957
17 Zhang_2007 Rapid Synthesis of Iminosugar Derivatives for Cell‐Based In Situ Screening: Discovery of “Hit” Compounds with Anticancer Activity Zhang, Lei; Sun, Fang; Li, Yingxia; Sun, Xue; Liu, Xiaomin; Huang, Yingshen; Zhang, Li‐He; Ye, Xin‐Shan; Xiao, Junjun 2007 2007-07-19 PMC N PMC7162357 17639998.0 10.1002/cmdc.200700120 zpn66zl9 0.663666 Park_2012, Kumar_2015
18 Halder_2013 Exploration of structural and physicochemical requirements and search of virtual hits for aminopeptidase N inhibitors Halder, Amit K.; Saha, Achintya; Jha, Tarun 2013 2013-01-23 PMC N PMC7089330 23341006.0 10.1007/s11030-013-9422-5 nbtdhom7 0.612367
19 Tang_2006 New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery Tang, Yun; Zhu, Weiliang; Chen, Kaixian; Jiang, Hualiang 2006 2006-11-30 PMC N 10.1016/j.ddtec.2006.09.004 snncv0c6 0.610431 Pillaiyar_2020, Zoete_2009
20 Li_H_2012 Recent advances in bioinorganic chemistry of bismuth Li, Hongyan; Sun, Hongzhe 2012 2012-04-30 PMC N PMC7108238 22322154.0 10.1016/j.cbpa.2012.01.006 h7pcb0qv 0.578338 Li_C_2019 Liu_A_2012, Pillaiyar_2020
21 Betz_2006 Biomolecular NMR: a chaperone to drug discovery Betz, Marco; Saxena, Krishna; Schwalbe, Harald 2006 2006-06-30 PMC N 16679046.0 10.1016/j.cbpa.2006.04.006 mzndovza 0.572917 Chiba_2012, van_der_Kooy_2013
22 Cheng_2011 In vitro transcriptomic prediction of hepatotoxicity for early drug discovery Cheng, Feng; Theodorescu, Dan; Schulman, Ira G.; Lee, Jae K. 2011 2011-12-01 PMC N PMC3386613 21884709.0 10.1016/j.jtbi.2011.08.009 kjkixcx7 0.569914 Park_2012 Chiba_2012, van_der_Kooy_2013
23 Plewczynski_2007 Modelling of potentially promising SARS protease inhibitors Plewczynski, Dariusz; Hoffmann, Marcin; von Grotthuss, Marcin; Knizewski, Lukasz; Rychewski, Leszek; Eitner, Krystian; Ginalski, Krzysztof 2007 2007-07-18 PMC N PMC7115750 10.1088/0953-8984/19/28/285207 mw7athol 0.566626 Park_2012
24 Nguyen_2019 GraphDTA: Predicting drug–target binding affinity with graph neural networks Thin Nguyen; Hang Le; Thomas P. Quinn; Thuc Le; Svetha Venkatesh 2019 2019-06-27 BioRxiv N 10.1101/684662 zult69f2 0.558278
25 Beltrán_Lissabet_2019 AntiVPP 1.0: A portable tool for prediction of antiviral peptides Beltrán Lissabet, Jorge Félix; Belén, Lisandra Herrera; Farias, Jorge G. 2019 2019-04-30 PMC N PMC7094449 30802694.0 10.1016/j.compbiomed.2019.02.011 k935v0z9 0.555596 Lee_C_2019
26 Zhang_2005 Generation of predictive pharmacophore model for SARS-coronavirus main proteinase Zhang, Xue Wu; Yap, Yee Leng; Altmeyer, Ralf M. 2005 2005-01-31 PMC N PMC7115589 15642409.0 10.1016/j.ejmech.2004.09.013 1v110xgs 0.531736 Park_2012
27 Murgueitio_2012 In silico virtual screening approaches for anti-viral drug discovery Murgueitio, Manuela S.; Bermudez, Marcel; Mortier, Jérémie; Wolber, Gerhard 2012 2012-11-30 PMC N PMC7105918 24990575.0 10.1016/j.ddtec.2012.07.009 x5bb2sym 0.485537 Dove_2004 Kumar_2015, Chiba_2012, Pillaiyar_2020
28 Berry_2015 Potential Broad Spectrum Inhibitors of the Coronavirus 3CL(pro): A Virtual Screening and Structure-Based Drug Design Study Berry, Michael; Fielding, Burtram C.; Gamieldien, Junaid 2015 2015-12-15 COMM-USE N PMC4690886 26694449.0 10.3390/v7122963 areh42n6 0.448993 Lee_C_2019
29 Roy_M_2018 Lycorine: A prospective natural lead for anticancer drug discovery Roy, Mridul; Liang, Long; Xiao, Xiaojuan; Feng, Peifu; Ye, Mao; Liu, Jing 2018 2018-11-30 PMC N PMC7127747 30114645.0 10.1016/j.biopha.2018.07.147 1p2r5xjc 0.439495 Liu_A_2012, Chen_2019
30 Hassan_2016 Therapeutic potential of coumarins as antiviral agents Hassan, Mohd. Zaheen; Osman, Hasnah; Ali, Mohamed Ashraf; Ahsan, Mohamed Jawed 2016 2016-11-10 PMC N PMC7115672 27484512.0 10.1016/j.ejmech.2016.07.056 ahceohgl 0.420008 Li_C_2019 Liu_A_2012, Zhang_2015, Serban_2020
31 Torres_2012 Design of Angiotensin‐converting Enzyme 2 (ACE2) Inhibitors by Virtual Lead Optimization and Screening Torres, Juan E.; Baldiris, Rosa; Vivas‐Reyes, Ricardo 2012 2012-07-23 PMC N PMC7166750 10.1002/jccs.201200079 mtdrc9ji 0.410739
32 Tamilvanan_2013 High-throughput virtual screening and docking studies of matrix protein vp40 of ebola virus Tamilvanan, Thangaraju; Hopper, Waheeta 2013 2013-03-19 PMC N PMC3607187 23559747.0 10.6026/97320630009286 vk8wsgq9 0.395459
33 Rajnarayanan_2004 “Teaching old drugs to kill new bugs”: structure-based discovery of anti-SARS drugs Rajnarayanan, Rajendram V.; Dakshanamurthy, Sivanesan; Pattabiraman, Nagarajan 2004 2004-08-20 PMC N PMC7092804 15358186.0 10.1016/j.bbrc.2004.06.155 cqbayzat 0.383439 Park_2012, Ekins_2014 Tang_2020, Adhikari_2017
34 Tang_2020 AI-aided design of novel targeted covalent inhibitors against SARS-CoV-2 Bowen Tang; Fengming He; Dongpeng Liu; Meijuan Fang; Zhen Wu; Dong Xu 2020 2020-03-08 BioRxiv Y 10.1101/2020.03.03.972133 qmg58cgr 0.365799 Park_2012, Ekins_2014, Zoete_2009 Rajnarayanan_2004, Adhikari_2017
35 Gupta_2018 Chapter 5 The Medicinal Chemistry of Antihepatitis Agents I Anti-HAV, Anti-HDV, and Anti-HEV Agents Gupta, Satya P. 2018 2018-12-31 PMC N PMC7149832 10.1016/b978-0-12-813330-9.00005-3 3muko35e 0.363734 Zhu_X_2015, Lee_C_2019, Bekut_2018
36 Manepalli_2011 Discovery of Novel Selective Serotonin Reuptake Inhibitors Through Development of a Protein-Based Pharmacophore Manepalli, Sankar; Geffert, Laura M.; Surratt, Christopher K.; Madura, Jeffry D. 2011 2011-09-02 PMC N PMC3183329 21834587.0 10.1021/ci200280m oa3h4o26 0.361404
37 Li_X_2011 Novel Inhibitor Design for Hemagglutinin against H1N1 Influenza Virus by Core Hopping Method Li, Xiao-Bo; Wang, Shu-Qing; Xu, Wei-Ren; Wang, Run-Ling; Chou, Kuo-Chen 2011 2011-11-30 COMM-USE N PMC3227604 22140516.0 10.1371/journal.pone.0028111 16syz1o7 0.359072 Zhu_X_2015, Lee_C_2019
38 Mestres_2020 The target landscape of N4-hydroxycytidine based on its chemical neighborhood Jordi Mestres 2020 2020-04-01 BioRxiv Y 10.1101/2020.03.30.016485 yzrni12u 0.357884 Dove_2004 Zhu_X_2015
39 Green_2008 Cell-based Assays to Identify Inhibitors of Viral Disease Green, Neil; Ott, Robert D.; Isaacs, Richard J.; Fang, Hong 2008 2008-05-22 PMC N PMC2741327 19750206.0 10.1517/17460441.3.6.671 6tx2ze0c 0.356130
40 Ekins_2014 A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus Ekins, Sean; Freundlich, Joel S.; Coffee, Megan 2014 2014-12-12 COMM-USE N PMC4304229 25653841.0 10.12688/f1000research.5741.2 p7v5p036 0.305263 Ekins_2015