JAWAHARLAL NEHRU TECHNOLOGICAL UNIVERSITY HYDERABAD
JAWAHARLAL NEHRU TECHNOLOGICAL UNIVERSITY HYDERABAD B.Pharmacy IV Year COMPUTER AIDED DRUG DESIGN Previous Question Paper (June - 2024 - R17)
Note: i) Question paper consists of Part A, Part B. ii) Part A is compulsory, which carries 25 marks. In Part A, answer all questions. iii) In Part B, Answer any one question from each unit. Each question carries 10 marks and may have a, b as sub questions.
Part A
Define lead molecule.
Answer
A lead molecule is a chemical compound that shows promising biological activity against a specific therapeutic target and serves as the starting point for chemical modification and optimization to develop a safe and effective drug candidate.
Write a note on High Throughput Screening (HTS).
Answer
High Throughput Screening (HTS) is an automated experimental technique used in drug discovery to rapidly test thousands to millions of chemical compounds for their ability to interact with a biological target. It utilizes robotics, data processing software, and sensitive detectors to identify 'hits' that can be further developed into potential drugs.
Explain Taft’s steric constant.
Answer
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Write the equation for Free Wilson approach.
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What is de novo drug design?
Answer
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Write the basic methodology of molecular docking.
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Define Bioinformatics.
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What do you understand by single nucleotide polymorphisms (SNPs)?
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Write the name of energy term parameters of molecular mechanics.
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What is difference between molecular mechanics and quantum mechanics?
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Part B
Write a note on different stages of drug discovery.
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Explain the meaning of drug design and discuss the benefits of rational drug design giving on the time and cost involved in the introduction of new chemical entity into the market.
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Describe the rational approaches to lead discovery based on traditional medicine.
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Write a note on lead discovery based on drug metabolism.
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Describe the theoretical determination of partition coefficient and electronic parameters in QSAR.
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What is the difference between SAR and QSAR?
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Describe the history and development of QSAR in detail.
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Explain the principle of Hansch Analysis in QSAR study.
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Define drug likeness. Discuss about virtual screening of drug likeness.
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Describe the techniques of molecular docking in detail.
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Write a note on rigid docking in detail.
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Define Chemoinformatics. Explain steps involved in chemical data curation.
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Write a short note on ADME databases.
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Explain the characteristics of chemical, and pharmaceutical database.
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What is role of bioinformatics in mass spectrum analysis?
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What is molecular mechanics? Discuss its applications in details.
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Write a note on quantum mechanics in drug discovery.
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Discuss various methods for determination of energy minimization.
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Write a short note on conformational analysis.
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