{"title":"Computational Strategies in Drug Discovery: Leveraging Subtractive Genomic Analysis for Target Identification.","authors":"Vivek Patil, Sharav Desai, Vipul Patel, Vrushali Somase","doi":"10.2174/0113892010295441240515074348","DOIUrl":null,"url":null,"abstract":"<p><p>The utilization of In-silico subtractive genomic analysis has emerged as an important and essential method in modern drug discovery and development since it significantly improves the process of identifying and validating potential targets for discovering novel therapeutic compounds to treat severe infections caused by Antimicrobial-resistant (AMR) - pathogenic species. This review provides a complete overview of the methodology, advantages, disadvantages, and prospects, associated with subtractive genomic research in the context of drug discovery and development. The initial phase of analysis encompasses the retrieval of data, which serves as a foundation for the subsequent data mining process in Phase 1. After data mining, Phase 2 utilizes subtractive channels for the target's non-homology and essentiality analysis. Phase 3 of the study aims to provide a comprehensive understanding of prospective targets by their qualitative characterization. Further, Phase 4 of the study emphasizes on conducting structure-based analyses, which involves the determination, refinement, evaluation, and validation of three-dimensional structures of the target proteins, along with their active site prediction and selection of the novel therapeutic compounds against that active site on the obtained targets through virtual screening and docking studies by utilizing various databases and servers. The therapeutic compounds obtained can be then validated by in vitro and in vivo testing, thereby establishing a connection between the computational predictions and real applications.</p>","PeriodicalId":10881,"journal":{"name":"Current pharmaceutical biotechnology","volume":null,"pages":null},"PeriodicalIF":2.2000,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current pharmaceutical biotechnology","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2174/0113892010295441240515074348","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMISTRY & MOLECULAR BIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
The utilization of In-silico subtractive genomic analysis has emerged as an important and essential method in modern drug discovery and development since it significantly improves the process of identifying and validating potential targets for discovering novel therapeutic compounds to treat severe infections caused by Antimicrobial-resistant (AMR) - pathogenic species. This review provides a complete overview of the methodology, advantages, disadvantages, and prospects, associated with subtractive genomic research in the context of drug discovery and development. The initial phase of analysis encompasses the retrieval of data, which serves as a foundation for the subsequent data mining process in Phase 1. After data mining, Phase 2 utilizes subtractive channels for the target's non-homology and essentiality analysis. Phase 3 of the study aims to provide a comprehensive understanding of prospective targets by their qualitative characterization. Further, Phase 4 of the study emphasizes on conducting structure-based analyses, which involves the determination, refinement, evaluation, and validation of three-dimensional structures of the target proteins, along with their active site prediction and selection of the novel therapeutic compounds against that active site on the obtained targets through virtual screening and docking studies by utilizing various databases and servers. The therapeutic compounds obtained can be then validated by in vitro and in vivo testing, thereby establishing a connection between the computational predictions and real applications.
期刊介绍:
Current Pharmaceutical Biotechnology aims to cover all the latest and outstanding developments in Pharmaceutical Biotechnology. Each issue of the journal includes timely in-depth reviews, original research articles and letters written by leaders in the field, covering a range of current topics in scientific areas of Pharmaceutical Biotechnology. Invited and unsolicited review articles are welcome. The journal encourages contributions describing research at the interface of drug discovery and pharmacological applications, involving in vitro investigations and pre-clinical or clinical studies. Scientific areas within the scope of the journal include pharmaceutical chemistry, biochemistry and genetics, molecular and cellular biology, and polymer and materials sciences as they relate to pharmaceutical science and biotechnology. In addition, the journal also considers comprehensive studies and research advances pertaining food chemistry with pharmaceutical implication. Areas of interest include:
DNA/protein engineering and processing
Synthetic biotechnology
Omics (genomics, proteomics, metabolomics and systems biology)
Therapeutic biotechnology (gene therapy, peptide inhibitors, enzymes)
Drug delivery and targeting
Nanobiotechnology
Molecular pharmaceutics and molecular pharmacology
Analytical biotechnology (biosensing, advanced technology for detection of bioanalytes)
Pharmacokinetics and pharmacodynamics
Applied Microbiology
Bioinformatics (computational biopharmaceutics and modeling)
Environmental biotechnology
Regenerative medicine (stem cells, tissue engineering and biomaterials)
Translational immunology (cell therapies, antibody engineering, xenotransplantation)
Industrial bioprocesses for drug production and development
Biosafety
Biotech ethics
Special Issues devoted to crucial topics, providing the latest comprehensive information on cutting-edge areas of research and technological advances, are welcome.
Current Pharmaceutical Biotechnology is an essential journal for academic, clinical, government and pharmaceutical scientists who wish to be kept informed and up-to-date with the latest and most important developments.