Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds
The growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed drugs has resulted in the failure to treat various infections caused by these superbugs. Therefore, to keep pace with the increasing drug resistance, there is a pressing need for novel antimicrobial agents, es...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-06-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/26/13/3970 |
| _version_ | 1797411517347397632 |
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| author | Samson Olaitan Oselusi Alan Christoffels Samuel Ayodele Egieyeh |
| author_facet | Samson Olaitan Oselusi Alan Christoffels Samuel Ayodele Egieyeh |
| author_sort | Samson Olaitan Oselusi |
| collection | DOAJ |
| description | The growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed drugs has resulted in the failure to treat various infections caused by these superbugs. Therefore, to keep pace with the increasing drug resistance, there is a pressing need for novel antimicrobial agents, especially from non-conventional sources. Several natural products (NPs) have been shown to display promising in vitro activities against multidrug-resistant pathogens. Still, only a few of these compounds have been studied as prospective drug candidates. This may be due to the expensive and time-consuming process of conducting important studies on these compounds. The present review focuses on applying cheminformatics strategies to characterize, prioritize, and optimize NPs to develop new lead compounds against antimicrobial resistance pathogens. Moreover, case studies where these strategies have been used to identify potential drug candidates, including a few selected open-access tools commonly used for these studies, are briefly outlined. |
| first_indexed | 2024-03-09T04:47:13Z |
| format | Article |
| id | doaj.art-b6af55143d1e44afa045d2a417eb66e3 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-09T04:47:13Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-b6af55143d1e44afa045d2a417eb66e32023-12-03T13:14:52ZengMDPI AGMolecules1420-30492021-06-012613397010.3390/molecules26133970Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead CompoundsSamson Olaitan Oselusi0Alan Christoffels1Samuel Ayodele Egieyeh2School of Pharmacy, University of the Western Cape, Bellville, Cape Town 7535, South AfricaSouth African Medical Research Council Bioinformatics Unit, South African National Bioinformatics Institute, University of the Western Cape, Cape Town 7535, South AfricaSchool of Pharmacy, University of the Western Cape, Bellville, Cape Town 7535, South AfricaThe growing antimicrobial resistance (AMR) of pathogenic organisms to currently prescribed drugs has resulted in the failure to treat various infections caused by these superbugs. Therefore, to keep pace with the increasing drug resistance, there is a pressing need for novel antimicrobial agents, especially from non-conventional sources. Several natural products (NPs) have been shown to display promising in vitro activities against multidrug-resistant pathogens. Still, only a few of these compounds have been studied as prospective drug candidates. This may be due to the expensive and time-consuming process of conducting important studies on these compounds. The present review focuses on applying cheminformatics strategies to characterize, prioritize, and optimize NPs to develop new lead compounds against antimicrobial resistance pathogens. Moreover, case studies where these strategies have been used to identify potential drug candidates, including a few selected open-access tools commonly used for these studies, are briefly outlined.https://www.mdpi.com/1420-3049/26/13/3970antimicrobial resistancenatural productscheminformaticshit prioritizationhit-optimizationdrug-likeness |
| spellingShingle | Samson Olaitan Oselusi Alan Christoffels Samuel Ayodele Egieyeh Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds Molecules antimicrobial resistance natural products cheminformatics hit prioritization hit-optimization drug-likeness |
| title | Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds |
| title_full | Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds |
| title_fullStr | Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds |
| title_full_unstemmed | Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds |
| title_short | Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds |
| title_sort | cheminformatic characterization of natural antimicrobial products for the development of new lead compounds |
| topic | antimicrobial resistance natural products cheminformatics hit prioritization hit-optimization drug-likeness |
| url | https://www.mdpi.com/1420-3049/26/13/3970 |
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