PPT;

SLIDE 1
- Good morning everyone, welcome to our final graduation
presentation, that my colleagues
(Asmaa Mohamed, Christen Mahfouz, Eslam saeed,) and I, Eman
moustafa, are going to present.
- We are here to talk about “Design and synthesis of benzene
sulfonamide derivatives as carbonic anhydrase inhibitors: molecular
docking and SAR investigations.”
SLIDE 2
These are the sub headings will be going through in our presentation
SLIDE 3
Our aims are to:
• Design and synthesis of carbonic anhydrase inhibitors.
• In silico screening of these molecules utilizing molecular modelling
software.
SLIDE 5
Starting with an introduction about cancer:
- Cancer cells differs from normal cells in many points:
 They have the ability to disrupt the relation between cells leading to
dysfunction of vital genes.

- In normal condition, proto-oncogenes controls cell division and

growth.

- But, in case of genetic mutation proto-oncogenes transform into

oncogenes that are most harmful for cell

- Cancer cells have the ability to suppress genes that responsible for
suppressing tumor proliferation
SLIDE 6;
- Statistics of 2023 showed the USA is projected to have 1,958,310
(one million nine hundred fifty-eight thousand three hundred ten) new
cancer cases and 609,820 (six hundred nine thousand eight hundred
twenty) new cancer deaths.
- This figure shows the most diagnosed in men which are;
- Prostate, lung, and colorectal cancers account for almost one half
(48%) of all incident cases in men, these diseases are also
correlated to the greatest number of deaths in men.
- While in women breast cancer, lung cancer, and CRC account for
52% of all new diagnosis, these diseases also shows the greatest
number of deaths in women.

SLIDE 8;
Targeted therapy;
CA’s inhibitors;
SMKI’s:
- Kinases are enzymes that catalyze the transfer of a phosphate
group from ATP to small biomolecules.
- These kinases have been considered to be oncogenic
- Therefore, the essential action of these kinase targets renders them
essential for cancer cell’s survival and proliferation
- Which makes the cancer cell susceptible to appropriate kinase
inhibitors.
SMKI’s:
- Are highly selective molecules intensively pursued as new
anticancer therapeutics.
Compound 1:
Dual-tail aryl sulfone-based benzene sulfonamides
Dual tail is approached to modulate the interactions of the ligands at the
outer rim of both hydrophilic and hydrophobic regions
Seeking for isoform selective inhibition profiles, a sulfone group was
incorporated to the increase the binding in the hydrophilic part of the active
site.
This compound showed better inhibition against acetazolamide reference,
the substitution with CL showed 8.7nM, moreover, with low nM
concentrations upon substitution with CH3, gives Ki= 5.3nM.
Compound 2:
The next one is;
TRIAZOLE BENZENE SULFONAMIDES;
With nitrogen as a linker, the substitutions of R1 with H and R2 with
heterocyclic ring as a tail. Compound with new chemical structure displayed
both hydrophobic and hydrophilic stable interactions in the active site.
Best to show selective inhibition of CA IX with predicted Ki of
approximatilly 0.07 nM.