The aim of this module is to introduce students to the fundamental principles that underpin modern medicinal chemistry of anti-infective drugs; these will include qualitative and advanced quantitative SAR techniques including computer-aided molecular design. The course will build on the principles taught in the introductory medicinal chemistry module CHEM248.

(LO1) To evaluate the importance of protease enzymes as drug targets as illustrated by examples including the falcipain 2 inhibitors (cysteine proteases) and HIV protease inhibitors (aspartate proteases). To analyse and compare drug discovery programmes focused on the SARS CoV2 main protease (cysteine protease).

(LO2) To analyse the mechanism of action, design and synthesis of beta-lactam antibiotics and beta lactamase inhibitors.

(LO3) To outline approaches to antiviral drug design. To apply organic synthesis knowledge to the preparation of different classes of antiviral

(LO4) To explain the mechanism of action and antifungal drug design.

(LO5) To understand and apply advanced techniques in computational drug design.

(S1) Students will develop their chemistry-related cognitive abilities and skills i.e. abilities and skills relating to intellectual tasks, including problem solving as required by the Chemistry subject benchmark statement. In particular they will gain the ability to adapt and apply methodology to the solution of unfamiliar problems

(S2) Communication skills through team working and online team meetings

(S3) Organisational skills

(S4) IT skills through computational workshops and online problem solving and literature searching exercises/techniques.

Lectures. 13 x 1 hr, delivered on campus with recordings available on Canvas.
Each lecture will have discussion points and questions which will be covered in subsequent lectures.
There is a single, formative MCQ supporting the lectures.

Tutorials. 2 x 2 hr in-person tutorials. Problems are attempted in the sessions then completed and uploaded later (total, 15%).
Two feedback sessions will provide students with answers to the tutorials and provide discussion points.
The first feedback session is given in a lecture slot, the other is available as a recording after the work has been submitted.

Workshop. 1 x 2 hr, on-line molecular modelling workshop with associated problems, submitted on canvas (5%).

*Lectures: 13 hr
*Tutorials: 4 hr
*Computational Workshop: 2 hr

Lecture 1 - Introduction; Recap of the process of drug discovery including revision of QSAR, combinatorial chemistry and HTS. Major therapeutic areas targeted in module will be discussed.
Lecture 2 - Cysteine Protease Enzymes as Drug Targets; Design and Synthesis of Small Peptide Inhibitors.
Lecture 3 - Synthesis Aspects ; Peptides and Peptidomimetics
Lecture 4 - Peptide and Peptidomimetic Inhibitors of Falcipains 2 and 3. Computer based design of novel inhibitor templates.
Lecture 5 - HIV Protease Inhibitors 1; Mechanism of action and drug design.
Lecture 6 - HIV Protease Inhibitors 2; SAR and Synthetic Approaches
Lecture 7 - Medicinal Chemistry of Antibacterials 1
Lecture 8 - Medicinal Chemistry of Antibacterials 2
Lecture 9 - Nucleoside analogues as antiviral agents
Lecture 10 - Medicinal Chemistry of antifungal agents
Lecture 11 - Advanced Techniques in Computational Drug Design 1
Lecture 12 - Advanced Techniques in Computational Dr ug Design 2
Lecture 13 - Revision lecture