JAWAHARLAL NEHRU TECHNOLOGICAL UNIVERSITY HYDERABAD
JAWAHARLAL NEHRU TECHNOLOGICAL UNIVERSITY HYDERABAD B. Pharmacy IV COMPUTER AIDED DRUG DESIGN Previous Question Paper (July - 2023 - 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
What is lead compound?
Answer
A lead compound is a chemical structure that exhibits a desired pharmacological activity and serves as the starting point for chemical modifications to optimize its potency, selectivity, and pharmacokinetic properties during the drug discovery process.
Define Random screening for lead optimization.
Answer
Random screening involves the non-selective, large-scale testing of available chemical compounds from a library or natural source against a biological target to identify potential hits. It is a brute-force approach used when no structural information about the target or ligand is available, serving as an initial step to discover novel scaffolds for lead optimization.
List the electronic parameters in QSAR?
Answer
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Write the difference between SAR and QSAR.
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What is docking?
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Discuss about similarity based methods used in virtual screening.
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List out chemoinformatic databases.
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Define the term Bioinformatics.
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Discuss Global minima.
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Define Quantum mechanics.
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PART B
Elaborate on the various stages involved in drug discovery.
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Discuss classical and non-classical bioisosteric replacement strategies in analog based design of drugs with examples.
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Elaborate on the types of physicochemical parameters of QSAR with examples.
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Explain Hansch analysis and Free Wilson analysis along with its advantages and disadvantages.
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Explain Pharmacophore mapping and concept-based screening.
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Define and classify Molecular docking and discuss various steps involved in the flexible docking.
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Discuss in detail the various ADME and biochemical Databases.
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Discuss the importance of bioinformatics in drug design.
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Write short note on Chemoinformatics.
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Discuss the role of molecular and quantum mechanics in drug discovery.
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Explain the concept of molecular mechanics in drug design.
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Discuss the various energy minimization methods.
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