Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure–activity relationship-based artificial intelligence and molecular docking of hit compounds (English)
- New search for: Hermansyah, Oky
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- New search for: Bustamam, Alhadi
- Further information on Bustamam, Alhadi:
- https://orcid.org/0000-0002-7408-074X
- New search for: Yanuar, Arry
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In:
Computational Biology and Chemistry
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95
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2021
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ISSN:
- Article (Journal) / Electronic Resource
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Title:Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure–activity relationship-based artificial intelligence and molecular docking of hit compounds
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Contributors:
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Published in:
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Publisher:
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Publication date:2021-10-26
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 95
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Multi-swarm UPSO algorithm based on seed strategy for atomic clusters structure optimizationTang, Xinghua / Liu, Jing / Zhu, Jingjing / Zhou, Lihai / Zhang, Yining et al. | 2021
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Acknowledgements to 2019 Reviewers| 2021
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An ensemble learning framework for potential miRNA-disease association prediction with positive-unlabeled dataWu, Yao / Zhu, Donghua / Wang, Xuefeng / Zhang, Shuo et al. | 2021
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The reactivity of neurotransmitters and their metabolites towards various nitrogen-centered radicals: Experimental, theoretical, and biotoxicity evaluationLončar, Aleksandar / Negrojević, Luka / Dimitrić-Marković, Jasmina / Dimić, Dušan et al. | 2021
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Interplay of substrate polymorphism and conformational plasticity of Plasmodium tyrosyl-tRNA synthetaseDatt, Manish et al. | 2021
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Deep_CNN_LSTM_GO: Protein function prediction from amino-acid sequencesElhaj-Abdou, Mohamed E.M. / El-Dib, Hassan / El-Helw, Amr / El-Habrouk, Mohamed et al. | 2021
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Identifying cancer specific signaling pathways based on the dysregulation between genesLi, Xiaohan / Zhang, Bing / Yu, Kequan / Bao, Zhenshen / Zhang, Weizhong / Bai, Yunfei et al. | 2021
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Computational algorithmic and molecular dynamics study of functional and structural impacts of non-synonymous single nucleotide polymorphisms in human DHFR geneAlam, Md. Shahed / Saleh, Md. Abu / Mozibullah, Md. / Riham, Ashik Tanvir / Solayman, Md. / Gan, Siew Hua et al. | 2021
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Atomistic insights into the selective therapeutic activity of 6-(2,4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1,2-a]pyrazin-1(2H)-one towards bromodomain-containing proteinsAkawa, Oluwole B. / Soremekun, Opeyemi S. / Olotu, Fisayo A. / Soliman, Mahmoud E.S. et al. | 2021
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Acknowledgements to 2020 Reviewers| 2021
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iR5hmcSC: Identifying RNA 5-hydroxymethylcytosine with multiple features based on stacking learningZhang, Shengli / Shi, Hongyan et al. | 2021
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Polymorphic landscape of SARS-CoV-2 genomes isolated from Indian population in 2020 demonstrates rapid evolution in ORF3a, ORF8, nucleocapsid phosphoprotein and spike glycoproteinPal, Archana / Dobhal, Shefali / Dey, Kishore Kumar / Sharma, Anish Kumar / Savani, Vivek / Negi, Vishal Singh et al. | 2021
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Editorial Board| 2021
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Enhancing gene regulatory networks inference through hub-based data integrationNaseri, Atefeh / Sharghi, Mehran / Hasheminejad, Seyed Mohammad Hossein et al. | 2021
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Prediction for understanding the effectiveness of antiviral peptidesNath, Abhigyan et al. | 2021
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Virtual screening using docking and molecular dynamics of cannabinoid analogs against CB1 and CB2 receptorsAviz-Amador, Antistio / Contreras-Puentes, Neyder / Mercado-Camargo, Jairo et al. | 2021
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Comments on 'Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics'Juretić, Davor / Bonačić Lošić, Željana et al. | 2021
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Design, DFT studies, antimicrobial and antioxidant potential of Binuclear N-heterocyclic Carbene (NHCs) complexes, Probing the aspect of DNA interaction through In-vitro and In-silico approachAshraf, Rizwan / Javed, Maria / Taskin-Tok, Tugba / Nadeem, Raziya / Javaid, Muhammad Kashif / El-Naggar, Mohamed / Alzahrani, Othman M. / Mahmoud, Samy F. et al. | 2021
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Protein function prediction using functional inter-relationshipDhanuka, Richa / Singh, Jyoti Prakash et al. | 2021
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Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure–activity relationship-based artificial intelligence and molecular docking of hit compoundsHermansyah, Oky / Bustamam, Alhadi / Yanuar, Arry et al. | 2021
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Modeling codelivery of CD73 inhibitor and dendritic cell-based vaccines in cancer immunotherapyArabameri, Abazar / Pourgholaminejad, Arash et al. | 2021
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In silico screening of ssDNA aptamer against Escherichia coli O157:H7: A machine learning and the Pseudo K-tuple nucleotide composition based approachNosrati, Mokhtar / amani, Jafar et al. | 2021
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Response to “Comments on the paper ‘Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics’”Šterk, Marko / Markovič, Rene / Marhl, Marko / Fajmut, Aleš / Dobovišek, Andrej et al. | 2021
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Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemicMa, Lifei / Li, Huiyang / Lan, Jinping / Hao, Xiuqing / Liu, Huiying / Wang, Xiaoman / Huang, Yong et al. | 2021
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Deep protein representations enable recombinant protein expression predictionMartiny, Hannah-Marie / Armenteros, Jose Juan Almagro / Johansen, Alexander Rosenberg / Salomon, Jesper / Nielsen, Henrik et al. | 2021
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Molecular dynamics simulation study of gold nanosheet as drug delivery vehicles for anti-HIV-1 aptamersAjamgard, Marzieh / Sardroodi, Jaber Jahanbin / Ebrahimzadeh, Alireza Rastkar / Kamelabad, Mahrokh Rezaei et al. | 2021
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A promising in silico protocol to develop novel PPARγ antagonists as potential anticancer agents: Design, synthesis and experimental validation via PPARγ protein activity and competitive binding assaySivamani, Yuvaraj / Shanmugarajan, Dhivya / Durai Ananda Kumar, T. / Faizan, Syed / Channappa, Bhavya / Naishima, Namburu Lalitha / Prashantha Kumar, B.R. et al. | 2021