In Silico Conotoxin Studies: Progress and Prospects
Cone snails of the genus <i>Conus</i> have evolved to produce structurally distinct and functionally diverse venom peptides for defensive and predatory purposes. This nature-devised delicacy enlightened drug discovery and for decades, the bioactive cone snail venom peptides, known as con...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/29/24/6061 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850238818817409024 |
|---|---|
| author | Ruihan Li Md. Mahadhi Hasan Dan Wang |
| author_facet | Ruihan Li Md. Mahadhi Hasan Dan Wang |
| author_sort | Ruihan Li |
| collection | DOAJ |
| description | Cone snails of the genus <i>Conus</i> have evolved to produce structurally distinct and functionally diverse venom peptides for defensive and predatory purposes. This nature-devised delicacy enlightened drug discovery and for decades, the bioactive cone snail venom peptides, known as conotoxins, have been widely explored for their therapeutic potential, yet we know very little about them. With the augmentation of computational algorithms from the realms of bioinformatics and machine learning, in silico strategies have made substantial contributions to facilitate conotoxin studies although still with certain limitations. In this review, we made a bibliometric analysis of in silico conotoxin studies from 2004 to 2024 and then discussed in silico strategies to not only efficiently classify conotoxin superfamilies but also speed up drug discovery from conotoxins, reveal binding modes of known conotoxin–ion channel interactions at a microscopic level and relate the mechanisms of ion channel modulation to its underlying molecular structure. We summarized the current progress of studies in this field and gave an outlook on prospects. |
| format | Article |
| id | doaj-art-2356fccb97144bcca6f6edc282d45b54 |
| institution | OA Journals |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-2356fccb97144bcca6f6edc282d45b542025-08-20T02:01:20ZengMDPI AGMolecules1420-30492024-12-012924606110.3390/molecules29246061In Silico Conotoxin Studies: Progress and ProspectsRuihan Li0Md. Mahadhi Hasan1Dan Wang2Department of Chinese Medicine and Pharmacy, School of Pharmacy, Jiangsu University, Zhenjiang 212013, ChinaDivision of Chemistry and Structural Biology, Institute for Molecular Bioscience, The University of Queensland, Brisbane, QLD 4072, AustraliaDepartment of Chinese Medicine and Pharmacy, School of Pharmacy, Jiangsu University, Zhenjiang 212013, ChinaCone snails of the genus <i>Conus</i> have evolved to produce structurally distinct and functionally diverse venom peptides for defensive and predatory purposes. This nature-devised delicacy enlightened drug discovery and for decades, the bioactive cone snail venom peptides, known as conotoxins, have been widely explored for their therapeutic potential, yet we know very little about them. With the augmentation of computational algorithms from the realms of bioinformatics and machine learning, in silico strategies have made substantial contributions to facilitate conotoxin studies although still with certain limitations. In this review, we made a bibliometric analysis of in silico conotoxin studies from 2004 to 2024 and then discussed in silico strategies to not only efficiently classify conotoxin superfamilies but also speed up drug discovery from conotoxins, reveal binding modes of known conotoxin–ion channel interactions at a microscopic level and relate the mechanisms of ion channel modulation to its underlying molecular structure. We summarized the current progress of studies in this field and gave an outlook on prospects.https://www.mdpi.com/1420-3049/29/24/6061venom peptidesin silico strategiesdrug discoverybinding modes |
| spellingShingle | Ruihan Li Md. Mahadhi Hasan Dan Wang In Silico Conotoxin Studies: Progress and Prospects Molecules venom peptides in silico strategies drug discovery binding modes |
| title | In Silico Conotoxin Studies: Progress and Prospects |
| title_full | In Silico Conotoxin Studies: Progress and Prospects |
| title_fullStr | In Silico Conotoxin Studies: Progress and Prospects |
| title_full_unstemmed | In Silico Conotoxin Studies: Progress and Prospects |
| title_short | In Silico Conotoxin Studies: Progress and Prospects |
| title_sort | in silico conotoxin studies progress and prospects |
| topic | venom peptides in silico strategies drug discovery binding modes |
| url | https://www.mdpi.com/1420-3049/29/24/6061 |
| work_keys_str_mv | AT ruihanli insilicoconotoxinstudiesprogressandprospects AT mdmahadhihasan insilicoconotoxinstudiesprogressandprospects AT danwang insilicoconotoxinstudiesprogressandprospects |