In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review
The increase in methane emissions, a major greenhouse gas, threatens human well-being and global ecosystems due to its contribution to global warming. Livestock, particularly ruminants, have been a major research topic in recent decades due to their methane production. Therefore, the objective of th...
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| Format: | Article |
| Language: | English |
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Asian-Australasian Association of Animal Production Societies
2025-01-01
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| Series: | Animal Bioscience |
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| Online Access: | http://www.animbiosci.org/upload/pdf/ab-24-0291.pdf |
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| author | Kamburawala Kankanamge Tharindu Namal Ranaweera Myunggi Baik |
| author_facet | Kamburawala Kankanamge Tharindu Namal Ranaweera Myunggi Baik |
| author_sort | Kamburawala Kankanamge Tharindu Namal Ranaweera |
| collection | DOAJ |
| description | The increase in methane emissions, a major greenhouse gas, threatens human well-being and global ecosystems due to its contribution to global warming. Livestock, particularly ruminants, have been a major research topic in recent decades due to their methane production. Therefore, the objective of the current review was to comprehensively discuss the in silico techniques used to mitigate methane production from ruminants. The review covers the principles of in silico docking and molecular dynamics, which can be used to develop methanogenesis inhibitors. It also discusses specific methanogen enzymes as potential targets for inhibitor development. Furthermore, in silico-based methanogenesis inhibitor development studies have been reviewed with the authors’ opinions. The further use of in silico-based research techniques, including artificial intelligence-based systems, is encouraged to help reduce methane production from livestock more efficiently and cost-effectively. |
| format | Article |
| id | doaj-art-0beeb4c9a9f2435ab86927ff61a5b53e |
| institution | Kabale University |
| issn | 2765-0189 2765-0235 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Asian-Australasian Association of Animal Production Societies |
| record_format | Article |
| series | Animal Bioscience |
| spelling | doaj-art-0beeb4c9a9f2435ab86927ff61a5b53e2025-01-03T00:24:05ZengAsian-Australasian Association of Animal Production SocietiesAnimal Bioscience2765-01892765-02352025-01-0138111810.5713/ab.24.029125321In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A reviewKamburawala Kankanamge Tharindu Namal Ranaweera0Myunggi Baik1 Department of Agricultural Biotechnology and Research Institute of Agriculture and Life Sciences, College of Agriculture and Life Sciences, Seoul National University, Seoul 08826, Korea Department of Agricultural Biotechnology and Research Institute of Agriculture and Life Sciences, College of Agriculture and Life Sciences, Seoul National University, Seoul 08826, KoreaThe increase in methane emissions, a major greenhouse gas, threatens human well-being and global ecosystems due to its contribution to global warming. Livestock, particularly ruminants, have been a major research topic in recent decades due to their methane production. Therefore, the objective of the current review was to comprehensively discuss the in silico techniques used to mitigate methane production from ruminants. The review covers the principles of in silico docking and molecular dynamics, which can be used to develop methanogenesis inhibitors. It also discusses specific methanogen enzymes as potential targets for inhibitor development. Furthermore, in silico-based methanogenesis inhibitor development studies have been reviewed with the authors’ opinions. The further use of in silico-based research techniques, including artificial intelligence-based systems, is encouraged to help reduce methane production from livestock more efficiently and cost-effectively.http://www.animbiosci.org/upload/pdf/ab-24-0291.pdfcomputer techniquesenzyme inhibitorsin silicomethanemethane inhibitorsruminant |
| spellingShingle | Kamburawala Kankanamge Tharindu Namal Ranaweera Myunggi Baik In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review Animal Bioscience computer techniques enzyme inhibitors in silico methane methane inhibitors ruminant |
| title | In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review |
| title_full | In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review |
| title_fullStr | In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review |
| title_full_unstemmed | In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review |
| title_short | In silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants — A review |
| title_sort | in silico docking and molecular dynamics for the discovery of inhibitors of enteric methane production in ruminants a review |
| topic | computer techniques enzyme inhibitors in silico methane methane inhibitors ruminant |
| url | http://www.animbiosci.org/upload/pdf/ab-24-0291.pdf |
| work_keys_str_mv | AT kamburawalakankanamgetharindunamalranaweera insilicodockingandmoleculardynamicsforthediscoveryofinhibitorsofentericmethaneproductioninruminantsareview AT myunggibaik insilicodockingandmoleculardynamicsforthediscoveryofinhibitorsofentericmethaneproductioninruminantsareview |