Academic Journal
Advances in Drug Discovery and Design using Computer-aided Molecular Modeling.
| Τίτλος: | Advances in Drug Discovery and Design using Computer-aided Molecular Modeling. |
|---|---|
| Συγγραφείς: | Singh K; Department of Pharmacology, Rajiv Academy for Pharmacy, Mathura Uttar Pradesh, India., Bhushan B; Department of Pharmacology, Institute of Pharmaceutical Research, GLA University, Mathura Uttar Pradesh, India., Singh B; Department of Pharmacy, B.S.A. College of Engineering & Technology, Mathura Uttar Pradesh India. |
| Πηγή: | Current computer-aided drug design [Curr Comput Aided Drug Des] 2024; Vol. 20 (5), pp. 697-710. |
| Τύπος έκδοσης: | Journal Article; Review |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Bentham Science Publishers Country of Publication: United Arab Emirates NLM ID: 101265750 Publication Model: Print Cited Medium: Internet ISSN: 1875-6697 (Electronic) Linking ISSN: 15734099 NLM ISO Abbreviation: Curr Comput Aided Drug Des Subsets: MEDLINE |
| Imprint Name(s): | Original Publication: Sharjah, U.A.E. ; San Francisco, CA : Bentham Science Publishers, c2005- |
| Ιατρικοί όροι (MeSH): | Drug Discovery*/methods , Drug Design*/methods , Computer-Aided Design* , Molecular Docking Simulation* , Quantitative Structure-Activity Relationship*, Humans ; Models, Molecular ; Algorithms |
| Περίληψη: | Computer-aided molecular modeling is a rapidly emerging technology that is being used to accelerate the discovery and design of new drug therapies. It involves the use of computer algorithms and 3D structures of molecules to predict interactions between molecules and their behavior in the body. This has drastically improved the speed and accuracy of drug discovery and design. Additionally, computer-aided molecular modeling has the potential to reduce costs, increase the quality of data, and identify promising targets for drug development. Through the use of sophisticated methods, such as virtual screening, molecular docking, pharmacophore modeling, and quantitative structure-activity relationships, scientists can achieve higher levels of efficacy and safety for new drugs. Moreover, it can be used to understand the activity of known drugs and simplify the process of formulating, optimizing, and predicting the pharmacokinetics of new and existing drugs. In conclusion, computer-aided molecular modeling is an effective tool to rapidly progress drug discovery and design by predicting the interactions between molecules and anticipating the behavior of new drugs in the body. (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.) |
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| Contributed Indexing: | Keywords: Computer-aided molecular modeling; drug design optimization; molecular dynamics simulation; pharmacophore modeling.; quantitative structure-activity relationship (QSAR); virtual screening |
| Entry Date(s): | Date Created: 20230915 Date Completed: 20240528 Latest Revision: 20240528 |
| Update Code: | 20260130 |
| DOI: | 10.2174/1573409920666230914123005 |
| PMID: | 37711101 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 1875-6697 |
|---|---|
| DOI: | 10.2174/1573409920666230914123005 |