Drug interaction slideshow

What is drug target interaction?

It’s how drug produce their effects

What are the major drug targets?

They are proteins, nucleic acids, lipids, and carbohydrates

What are the common drug targets for protein?

1. Receptors

2. Enzymes

3. Transport proteins (tubulin)

4. ion channels)

What are the common drug targets for lipids?

Cell membrane lipids

What are common drug targets for nucleic acids?

DNA and RNA

What are the common drug targets for carborhydrates?

Glycosaminoglycans (GAGs) and Bacteria/Parasites,virus specific carbohydrates)

What are GAG(glycosaminoglycans) involved in?

Involved in cell signaling pathways for regulation and growth

During drug binding, what changes to fit the drug?

the binding site changes shape to fit the drug.

What is kOn?

how fast the ligand binds to the receptor

What is kOff?

how fast it detach from the receptor

What does the equation kOff/kOn = Kd tell you?

Kd=binding affinity.

Low Kd= high binding affinity

High Kd= low binding affinity

what does it mean to be spontaneous?

it means its thermodynamically favorable(reaction can happen without much energy)

What is Delta G?

free energy of binding

What is negative delta G tell you?

that means the reaction is spontaneous

what does positive delta G tell you?

it means the reaction isn’t spontaneous.

What is Delta H?

it’s the enthalpy of binding

*it’s Delta H = Ebreak - Eform

What does negative delta H mean?

it’s exothermic, meaning it’s binding favorable.

*negative Delta H is favorable for spontaneous reaction

What is Delta S?

it’s the entropy of binding.

it’s means how freely the binding site can move.

Negative Delta S is unfavourable

What does low delta S mean?

less moving, so it increases Delta G.

What does high Delta S mean?

the binding site/drug is freely able to move so it can change shape to decrease delta G.

For Delta G=RT*ln*Kd equation, what does low Kd mean?

low Kd means low Delta G = spontaneous

For acids and bases, when they in a pH less than their pKa, they are?

they are protonated

*pH>pKA they are deprotonated

For acid when they protonated, they are?

they are unionized

deprotonated = ionized

for base when they are protonated they are?

they are ionized

when they are deprotonated, they are unionzied

Non covalent bond interactions, they are?

• involve no electron sharing

• strongest bond

• usually the one that is irreversible

Intermolecular bonding, what is the strongest bond?

Ionic bond

What is ionic bond and its importance?

Bond between two opposite charge, strongest interaction occurs in hydrophobic environments and it’s the most important initial interactions as drug enters the binding site.

What does it mean that Hydrogne bond involves in orbital and is directional?

Angle is 180(linear formation) due to orientation is where the X-H bond directly to the lone pairs.

Van der Waals interaction

It’s a very weak interaction, only occurs in the hydrophobic binding regions of drug target.

Strongest bond to the weakest bond

Covalent—> ionic—> Ion diople—>hydrogen—>Dipole-diople—> van der waals interaction

Desolvation penalties

When polar drug trying to bind to polar binding sites (since like wants to bind to alikes), they also attract water molecules called solvations.This makes it hard for it harder for it move aqueous solvent(incrasing solvent desolvation energy)

*know theres bond break(endothermic) required around the water molecules

Hydrophobic itneraction

Structured water layer before binding to the binding site around has less entropy compared to the unstructured water when the drug binds to the binding site.