Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges
Abstract Background Artificial intelligence (AI) has become a novel approach for bioactive molecule search, target identification, prediction of lead molecule-target interaction, design of pharmaceutical formulations, and efficient conduction and prediction of results of clinical trials. Main body A...
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| Format: | Article |
| Language: | English |
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Springer
2025-05-01
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| Series: | Discover Artificial Intelligence |
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| Online Access: | https://doi.org/10.1007/s44163-025-00330-9 |
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| author | Bhakti Sudha Pandey Sumit Durgapal Prashant Kumar Gauree Kukreti Anjali Jain Girish Paliwal Manish Kumar |
| author_facet | Bhakti Sudha Pandey Sumit Durgapal Prashant Kumar Gauree Kukreti Anjali Jain Girish Paliwal Manish Kumar |
| author_sort | Bhakti Sudha Pandey |
| collection | DOAJ |
| description | Abstract Background Artificial intelligence (AI) has become a novel approach for bioactive molecule search, target identification, prediction of lead molecule-target interaction, design of pharmaceutical formulations, and efficient conduction and prediction of results of clinical trials. Main body AI has revolutionized the drug discovery and pharmaceutical product development. Traditional methods are time-consuming and costlier due to large experimentation number and low hit and success. Herein, AI can analyse a large dataset quickly to give possible outcomes. AI easily identifies potential drug targets by virtual screening of biological data, resulting in time-efficient and low-cost discovery of novel drug targets. AI can be used for the design of new drug candidates by analysing the possible molecular structures binding with targets. Moreover, AI can easily predict drug interactions with targets to exert therapeutic action. AI-enabled drug repurposing is based on the interaction of existing drugs with new targets or other explored target datasets. AI can play prominent role in accelerating the development of pharmaceutical products due to their role in optimization and process validation. The clinical trials have also become easy and faster with use of AI tools. Conclusion Artificial Intelligence based tool can be employed in discovery of lead molecule, target identification, drug-target interaction, development of pharmaceutical product and clinical trials to accelerate the production of clinically acceptable therapeutics with higher success rate. |
| format | Article |
| id | doaj-art-dcbc01251a2c4aa884c322ebdfe91c69 |
| institution | DOAJ |
| issn | 2731-0809 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Springer |
| record_format | Article |
| series | Discover Artificial Intelligence |
| spelling | doaj-art-dcbc01251a2c4aa884c322ebdfe91c692025-08-20T03:16:34ZengSpringerDiscover Artificial Intelligence2731-08092025-05-015111310.1007/s44163-025-00330-9Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challengesBhakti Sudha Pandey0Sumit Durgapal1Prashant Kumar2Gauree Kukreti3Anjali Jain4Girish Paliwal5Manish Kumar6IIMT College of PharmacyDepartment of Pharmaceutics, Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal UniversitySRM Modinagar College of Pharmacy, SRM Institute of Science and Technology Delhi-NCR CampusSchool of Pharmaceutical Sciences and Technology, Sardar Bhagwan Singh UniversityDepartment of Pharmaceutics, B.P.S Educational Institution of PharmacyAmity School of Engineering and Technology, Amity University Greater Noida CampusAmity Institute of Pharmacy, Amity University, Greater Noida CampusAbstract Background Artificial intelligence (AI) has become a novel approach for bioactive molecule search, target identification, prediction of lead molecule-target interaction, design of pharmaceutical formulations, and efficient conduction and prediction of results of clinical trials. Main body AI has revolutionized the drug discovery and pharmaceutical product development. Traditional methods are time-consuming and costlier due to large experimentation number and low hit and success. Herein, AI can analyse a large dataset quickly to give possible outcomes. AI easily identifies potential drug targets by virtual screening of biological data, resulting in time-efficient and low-cost discovery of novel drug targets. AI can be used for the design of new drug candidates by analysing the possible molecular structures binding with targets. Moreover, AI can easily predict drug interactions with targets to exert therapeutic action. AI-enabled drug repurposing is based on the interaction of existing drugs with new targets or other explored target datasets. AI can play prominent role in accelerating the development of pharmaceutical products due to their role in optimization and process validation. The clinical trials have also become easy and faster with use of AI tools. Conclusion Artificial Intelligence based tool can be employed in discovery of lead molecule, target identification, drug-target interaction, development of pharmaceutical product and clinical trials to accelerate the production of clinically acceptable therapeutics with higher success rate.https://doi.org/10.1007/s44163-025-00330-9Artificial intelligencePharmaceutical productDrug discovery |
| spellingShingle | Bhakti Sudha Pandey Sumit Durgapal Prashant Kumar Gauree Kukreti Anjali Jain Girish Paliwal Manish Kumar Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges Discover Artificial Intelligence Artificial intelligence Pharmaceutical product Drug discovery |
| title | Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges |
| title_full | Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges |
| title_fullStr | Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges |
| title_full_unstemmed | Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges |
| title_short | Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges |
| title_sort | unraveling the artificial intelligence role in drug discovery and pharmaceutical product design an opportunity and challenges |
| topic | Artificial intelligence Pharmaceutical product Drug discovery |
| url | https://doi.org/10.1007/s44163-025-00330-9 |
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