6

Question 1

what are isosteres

Answer 1

• molecules or atoms that contain the same number of atoms and valent electrons

Question 2

what is hydrides displacement law and what 4 atoms does it apply to

Answer 2

the addition of a hydride to an atom gives to the resulting pseudo atom the properties of the atom with the next highest atomic number
- only applies to:
- carbon
- nitrogen
- oxygen
- fluorine

Question 3

how does the law work, example of up and down

Answer 3

• when going up an atomic number you remove a hydride to make the atomic number the original
• when going down you add a hydride to make it the original atomic number
• with CH2 you can only go up to NH as you can only remove 1 H

Question 4

what are bio isosteres

Answer 4

• groups or molecules which have chemical and physical similarities producing broadly similar biological effects
• not possible to work out

Question 5

what is in silico

Answer 5

computer modelling

Question 6

3 ways to use computer modelling

Answer 6

1. real shape of molecule
2. design/redesign a molecule to optimize binding
3. work out potential binding sites and molecules

Question 7

what is real shape of molecule

Answer 7

• molecules fold up to the shape that requires the least energy
• so calculate the shape of the molecule that isn’t folded

Question 8

3 ways to fix if you don’t have structural info

Answer 8

• use results of experiment combined with modelling to help us to decide how to improve molecule
• use structural date of similar targets as a guide
• get a supercomputer to predict the structure of our target based on knowledge of protein sequence

Question 9

prerequisite of using supercomputer to predict structure

Answer 9

still need lab data for official checking of compound