Computational Approaches in Discovery & Design of Antimicrobial Peptides
Antimicrobial resistance remains a major concern in medicine, especially during the COVID-19 pandemic, where microbial infections were frequent complications. To combat drug-resistant pathogens, there has been a renewed interest in the use of antimicrobial peptides (AMPs). This reprint focuses on th...
Tallennettuna:
| Aineistotyyppi: | Online |
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| Kieli: | englanti |
| Julkaistu: |
MDPI - Multidisciplinary Digital Publishing Institute
2023
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| Aiheet: | |
| Linkit: | ONIX_20230714_9783036579610_74 |
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| _version_ | 1869529541039357952 |
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| collection | Directory of Open Access Books |
| description | Antimicrobial resistance remains a major concern in medicine, especially during the COVID-19 pandemic, where microbial infections were frequent complications. To combat drug-resistant pathogens, there has been a renewed interest in the use of antimicrobial peptides (AMPs). This reprint focuses on the in-silico approaches used for the rational discovery and design of AMPs. Such computational methodologies range from classical homology-based and machine-learning prediction algorithms to complex similarity networks and evolutionary algorithms that use models of sequence evolution. Furthermore, the reprint explores the improvement of high-throughput screening techniques in the discovery of AMPs from biological samples, which has also led to the evolution of computational approaches that aid in this biodiscovery process. The reprint contains original research and review papers, which serve as valuable references for researchers dedicated to peptide drug development. |
| format | Online |
| id | doab-20.500.12854ir-101375 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2023 |
| publishDateRange | 2023 |
| publishDateSort | 2023 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-1013752024-03-28T03:32:58Z Computational Approaches in Discovery & Design of Antimicrobial Peptides Antunes, Agostinho Agüero-Chapin, Guillermin Marrero-Ponce, Yovani cancer tumor-homing peptide in silico drug discovery complex network chemical space network centrality measure similarity searching group fusion motif discovery starPep toolbox software FOF1-ATP synthase allosteric inhibition structure-based drug design evolutionary and PPI algorithms peptide design artificial intelligence machine learning AMPs evolutionary algorithms molecular descriptors complex networks proteogenomics antimicrobial peptide AMP discovery genome mining antimicrobial resistance Streptomyces secondary metabolites genome biosynthetic gene clusters high-performance liquid chromatography (HPLC) mass spectrometry amphipathic peptides multifunctional design penetratins antimicrobial antiviral anticancer anti-inflammatory cell-penetrating non-toxic cathelicidins antimicrobial peptides LL-37 biofilms abscess model skin model reptiles Apicomplexan bioactive peptides toxoplasmosis cryptosporidiosis malaria antibacterial peptide AMPs database StarPep Gram staining-based target peptide library screening human peptidome redox system Cryptococcus neoformans ROS metabolism ergosterol synthetic antimicrobial peptides n/a thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PN Chemistry Antimicrobial resistance remains a major concern in medicine, especially during the COVID-19 pandemic, where microbial infections were frequent complications. To combat drug-resistant pathogens, there has been a renewed interest in the use of antimicrobial peptides (AMPs). This reprint focuses on the in-silico approaches used for the rational discovery and design of AMPs. Such computational methodologies range from classical homology-based and machine-learning prediction algorithms to complex similarity networks and evolutionary algorithms that use models of sequence evolution. Furthermore, the reprint explores the improvement of high-throughput screening techniques in the discovery of AMPs from biological samples, which has also led to the evolution of computational approaches that aid in this biodiscovery process. The reprint contains original research and review papers, which serve as valuable references for researchers dedicated to peptide drug development. 2023-07-14T14:28:24Z 2023-07-14T14:28:24Z 2023 book ONIX_20230714_9783036579610_74 9783036579610 9783036579603 https://directory.doabooks.org/handle/20.500.12854/101375 eng image/jpeg Attribution 4.0 International https://mdpi.com/books/pdfview/book/7471 https://mdpi.com/books/pdfview/book/7471 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-7960-3 10.3390/books978-3-0365-7960-3 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036579610 9783036579603 258 Basel open access |
| spellingShingle | cancer tumor-homing peptide in silico drug discovery complex network chemical space network centrality measure similarity searching group fusion motif discovery starPep toolbox software FOF1-ATP synthase allosteric inhibition structure-based drug design evolutionary and PPI algorithms peptide design artificial intelligence machine learning AMPs evolutionary algorithms molecular descriptors complex networks proteogenomics antimicrobial peptide AMP discovery genome mining antimicrobial resistance Streptomyces secondary metabolites genome biosynthetic gene clusters high-performance liquid chromatography (HPLC) mass spectrometry amphipathic peptides multifunctional design penetratins antimicrobial antiviral anticancer anti-inflammatory cell-penetrating non-toxic cathelicidins antimicrobial peptides LL-37 biofilms abscess model skin model reptiles Apicomplexan bioactive peptides toxoplasmosis cryptosporidiosis malaria antibacterial peptide AMPs database StarPep Gram staining-based target peptide library screening human peptidome redox system Cryptococcus neoformans ROS metabolism ergosterol synthetic antimicrobial peptides n/a thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PN Chemistry Computational Approaches in Discovery & Design of Antimicrobial Peptides |
| title | Computational Approaches in Discovery & Design of Antimicrobial Peptides |
| title_full | Computational Approaches in Discovery & Design of Antimicrobial Peptides |
| title_fullStr | Computational Approaches in Discovery & Design of Antimicrobial Peptides |
| title_full_unstemmed | Computational Approaches in Discovery & Design of Antimicrobial Peptides |
| title_short | Computational Approaches in Discovery & Design of Antimicrobial Peptides |
| title_sort | computational approaches in discovery design of antimicrobial peptides |
| topic | cancer tumor-homing peptide in silico drug discovery complex network chemical space network centrality measure similarity searching group fusion motif discovery starPep toolbox software FOF1-ATP synthase allosteric inhibition structure-based drug design evolutionary and PPI algorithms peptide design artificial intelligence machine learning AMPs evolutionary algorithms molecular descriptors complex networks proteogenomics antimicrobial peptide AMP discovery genome mining antimicrobial resistance Streptomyces secondary metabolites genome biosynthetic gene clusters high-performance liquid chromatography (HPLC) mass spectrometry amphipathic peptides multifunctional design penetratins antimicrobial antiviral anticancer anti-inflammatory cell-penetrating non-toxic cathelicidins antimicrobial peptides LL-37 biofilms abscess model skin model reptiles Apicomplexan bioactive peptides toxoplasmosis cryptosporidiosis malaria antibacterial peptide AMPs database StarPep Gram staining-based target peptide library screening human peptidome redox system Cryptococcus neoformans ROS metabolism ergosterol synthetic antimicrobial peptides n/a thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PN Chemistry |
| topic_facet | cancer tumor-homing peptide in silico drug discovery complex network chemical space network centrality measure similarity searching group fusion motif discovery starPep toolbox software FOF1-ATP synthase allosteric inhibition structure-based drug design evolutionary and PPI algorithms peptide design artificial intelligence machine learning AMPs evolutionary algorithms molecular descriptors complex networks proteogenomics antimicrobial peptide AMP discovery genome mining antimicrobial resistance Streptomyces secondary metabolites genome biosynthetic gene clusters high-performance liquid chromatography (HPLC) mass spectrometry amphipathic peptides multifunctional design penetratins antimicrobial antiviral anticancer anti-inflammatory cell-penetrating non-toxic cathelicidins antimicrobial peptides LL-37 biofilms abscess model skin model reptiles Apicomplexan bioactive peptides toxoplasmosis cryptosporidiosis malaria antibacterial peptide AMPs database StarPep Gram staining-based target peptide library screening human peptidome redox system Cryptococcus neoformans ROS metabolism ergosterol synthetic antimicrobial peptides n/a thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PN Chemistry |
| url | ONIX_20230714_9783036579610_74 |