In-silico Approaches for Drug Designing Technology: Bridging Discovery and Development

Traditional drug discovery processes have disadvantages such as efficiency, cost, and high attrition rates. In silico methods, involving computational simulations and modelling, offer powerful solutions to bridge the gap between discovery and development. This review explores various in silico approaches, including ligand-based and structure-based drug design, virtual screening, molecular docking, and ADMET prediction. We explore their utilization throughout different phases of phar-maceutical development, spanning from target identification and lead refinement to forecasting tox-icity and pharmacokinetics. In-silico methods enable rapid lead identification and optimization, re-ducing reliance on expensive wet lab experiments. They contribute to improved drug quality by pre-dicting ADMET properties and off-target effects, ultimately accelerating development timelines and lowering costs. In silico approaches are revolutionizing drug design by providing predictive and cost-effective solutions. Incorporating them into the design process streamlines lead refinement and en-hances the likelihood of success for potential drugs, ultimately expediting the translation of innova-tive treatments to patients.

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Publication Details

Journal
Current Drug Discovery Technologies
Published
2025-02-18
DOI
https://doi.org/10.2174/0115701638326869250207060616
Citations
9
Primary Topic
3D Printing in Biomedical Research
Type
article
Field-Weighted Citation Impact
6.07
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article

In-silico Approaches for Drug Designing Technology: Bridging Discovery and Development

Sandip Mondal, Diptimayee Jena, Manish Kumar Gautam, Aniya Teli et al.
9 citations
Current Drug Discovery Technologies
3D Printing in Biomedical Research
6.07
article

In-silico Approaches for Drug Designing Technology: Bridging Discovery and Development

Sandip Mondal, Diptimayee Jena, Manish Kumar Gautam, Aniya Teli, Aminul Islam, Nur Shaid Mondal
article en
9 citations

Abstract

Traditional drug discovery processes have disadvantages such as efficiency, cost, and high attrition rates. In silico methods, involving computational simulations and modelling, offer powerful solutions to bridge the gap between discovery and development. This review explores various in silico approaches, including ligand-based and structure-based drug design, virtual screening, molecular docking, and ADMET prediction. We explore their utilization throughout different phases of phar-maceutical development, spanning from target identification and lead refinement to forecasting tox-icity and pharmacokinetics. In-silico methods enable rapid lead identification and optimization, re-ducing reliance on expensive wet lab experiments. They contribute to improved drug quality by pre-dicting ADMET properties and off-target effects, ultimately accelerating development timelines and lowering costs. In silico approaches are revolutionizing drug design by providing predictive and cost-effective solutions. Incorporating them into the design process streamlines lead refinement and en-hances the likelihood of success for potential drugs, ultimately expediting the translation of innova-tive treatments to patients.

Current Drug Discovery TechnologiesVol. 22(5)
National Institute of Pharmaceutical Education and Research (IN), Centurion University of Technology and Management (IN), Assam Down Town University (IN)
Openalex Percentile: Top 4%
3D Printing in Biomedical Research
6.07
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In-silico Approaches for Drug Designing Technology: Bridging Discovery and Development — Sandip Mondal, Diptimayee Jena, et al. · Current Drug Discovery Technologies (2025) | TGRS Research Map | TGRS