SYNTHESIS, DFT AND BIOLOGICAL EVALUATION OF AMINO BASED

COMPOUNDS:

ABSTRACT:

Amino based compounds are one of the most striking class for researchers due to
their biological activities. In the ongoing research, amino based derivatives will be
synthesized through a series of steps by condensation reaction in the presence of a
base in polar solvent. The structure elucidation then will be carried out by using
various techniques such as 1H NMR, 13C NMR, mass spectroscopy and density
functional (DFT) theory for characterization of the synthesized compounds. Also,
IR vibrational frequencies will be compared with the predicted frequencies for
characterization to support the composed structure. Newly synthesized compounds
will then be screened for their enzyme inhibition activity against acetylcholine
esterase ( AChE) and butyrylcholine esterase (BChE) (enzymes that cause dementia)
and in vitro antimicrobial activity against different strains of bacteria and fungi
using serial broth dilution method.
Docking of these compounds against acetylcholine esterase and butyrylcholine
esterase, the responsible enzymes for the Alzheimer disease will be achieved to
explore the interactions of the synthesized hits within the residues of the enzyme
pocket. The docking results will enhance the activity of newly synthesized
derivatives as promising agents for Alzheimer disease.
Aims and objectives:
Problem with statement:
Alzheimer’s disease is a chronic neurodegenerative disorderness, basically cause of
dementia, loss of (consciousness). It begins in people over 65 years of age. There
are also 10 % chances that it begins in early stage.
The main cause of the disease is the overactivity of AChE and BChE in specific
brain regions, accumlulation of proteins is also somehow responsible for this
disease.
Challenges:
Cause of Alzheimer disease is poorly understood.
Acetyl-coline is a neurotransmitter in specific brain reigon, and its function is to
transmit messages. After transmission it is hydrolysed by ACHE and BCHE. In AD
both enzymes hydrolyse the avetyl coline before its tramsmission.
Objectives:
There is wide range of heterocyclic compounds in nature which have variety of
biological activities I,e antibacterial, antifungal etc
Here we are concerned with enzyme inhibition activity, the purpose of this research
is to synthesize sdrug (inhibitors) which inhibit the over activity of enzymes so that
chances of AD disease can be minimized.