In-Silico Drug Designing: Transition to Modern-Day Drug Discovery

  • Kiran Nehra
  • Preti Yadav
  • Joginder Singh Duhan


From the development of vaccines to the formulation of drugs, the medicinal industries have transformed a lot. With an increase in the in-depth knowledge of modern biology and chemistry, there has been a correspondingly marked increase towards research and discovery of ‘novel’ medicinal compounds. However, the journey of a drug from identification to its appearance in the market is lengthy, time-consuming and a tedious task with a high risk of failure. Therefore, there is a need for highly focussed, more certain and cost-effective technologies which can eliminate these cons and provide a cutting edge in the field of drug discovery and development process. In silico drug designing is one such upcoming technique which has the potential to replace the conventional drug discovery process by finding a suitable potential candidate against a target in vitro. It can create alterations of a native biological molecule in silico, which in turn may affect its structural and chemical properties, making it more effective towards binding to a target. Hence, using this method, efficacy of millions of chemical compounds can be checked, and the best potential drug candidate with exquisite properties can be picked out of a vast library of different chemical compounds. The present chapter provides an insight into the details of drug designing, highlighting the complete drug designing process including the various stages through which a potential drug candidate undergoes before it is marked as a ‘drug’.


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© Springer Nature Singapore Pte Ltd. 2018

Authors and Affiliations

  • Kiran Nehra
    • 1
  • Preti Yadav
    • 1
  • Joginder Singh Duhan
    • 2
  1. 1.Department of BiotechnologyDeenbandhu Chhotu Ram University of Science & Technology, MurthalSonipatIndia
  2. 2.Department of BiotechnologyChaudhary Devi Lal UniversitySirsaIndia

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