Identifying clinically significant novel drug candidate for highly prevalent Alzheimer's disease

Shabeer, T K ; Ali L, Benazir ; Subramani, A ; Baskar, T

Abstract

Pharmacokinetics is very important in target validation and in shifting a lead compound into a drug. It is a cumbersome process in clinical research. A quantitative personation based on computed, pharmacokinetics, physicochemical properties, ILOGP, drug-likeness, medicinal chemistry friendliness, bioavailability radar and BOILED-Egg for all the synthesized, 6 novel compounds have been assessed using Swiss ADME. An effective drug can be produced from the physicochemical properties discussed in this model. The physicochemical properties of all designed Schiff bases of curcumin have been found to be optimal and so, they are perceived to have acceptable oral absorption and adequate permeability. All the monomers obeyed the rule of five by Lipinski and the oral bioavailability is accounted worldwide. The desired set of monomers have been enhanced by effective ADME screening and molecular simulation methods with Microtubuleassociated protein tau (MAPT) (PDB code: 10636) receptor could represent favourable building blocks as preferable chemotherapeutic factor in resistance to Alzheimers disease.


Keyword(s)


ADME; Lipinski rule; Bioavailability; Curcumin-schiff base; Molecular simulation; Alzheimer’s disease

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