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High-Throughput and In Silico Screening in Drug Discovery

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Bioresources and Bioprocess in Biotechnology

Abstract

The process of drug discovery involves multiple branches of science. Discovery of novel molecule with biological modulation activity is a time-consuming and expensive process. High-throughput and in silico tools can reduce time and cost in drug discovery. The aim of high-throughput screening is to identify bioactive molecule from large compound collection and further development of active compounds to leads. There are two types of assay in high-throughput drug discovery: biochemical- and cell-based assays. Choice of assay depends on nature of target and assay feasibilities. Assay method should detect active compound from chemical library. Assay optimization and validation steps reduce false-positive and false-negative results. The assay results must be statistically validated to ensure reliability of results. The good assay design and implementation will give optimal results.In silico tools in drug discovery facilitate hit identification, hit to lead development, and optimization of druggability (improvement absorption, distribution, metabolism, excretion, and toxicity properties). High-throughput and in silico screening can be streamlined for hit identification and lead development. Streamlining of these methods reduces cost and time of drug discovery process. The wise use of these high-throughput methods can lead to discovery of drug with good potency and low toxicity profile.

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Authors and Affiliations

  1. Division of Microbiology, Jawaharlal Nehru Tropical Botanic Garden and Research Institute, Palode, Thiruvananthapuram, Kerala, 695562, India

    Nandu Thrithamarassery Gangadharan & Shiburaj Sugathan

  2. Atlantic Centre for Transplantation Research, Dalhousie University, Halifax, B3H 4R2, Nova Scotia, Canada

    Ananda Baskaran Venkatachalam

Authors
  1. Nandu Thrithamarassery Gangadharan
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  2. Ananda Baskaran Venkatachalam
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  3. Shiburaj Sugathan
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Correspondence to Shiburaj Sugathan .

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Editors and Affiliations

  1. Inter University Centre for Bioscience, Department of Biotechnology and Microbiology, Kannur University, Kannur, Kerala, India

    Sabu Abdulhameed

  2. Division of Microbiology, Jawaharlal Nehru Tropical Botanic Garden and Research Institute, Thiruvananthapuram, Kerala, India

    N.S. Pradeep

  3. Division of Microbiology, Jawaharlal Nehru Tropical Botanic Garden and Research Institute, Thiruvananthapuram, Kerala, India

    Shiburaj Sugathan

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Thrithamarassery Gangadharan, N., Venkatachalam, A.B., Sugathan, S. (2017). High-Throughput and In Silico Screening in Drug Discovery. In: Abdulhameed, S., Pradeep, N., Sugathan, S. (eds) Bioresources and Bioprocess in Biotechnology. Springer, Singapore. https://doi.org/10.1007/978-981-10-3573-9_11

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