IN SILICO DOCKING AND ADMET PREDICTION OF A NOVEL ANTIBACTERIAL DERIVATIVES (SCHIFF BASE) FOR DIHYDROFOLATE REDUCTASE (1MVT) INHIBITION

Pharmacy

Schiff base-containing (imine or azomethine–C=N–) derivatives have been investigated in relation to a broad range of activity, including antibacterial activity, antiviral activity, anticancer activity, polymer technology and in many other areas due to the presence of moiety in their structures. Antibacterial activity of Schiff bases can achieve by various enzyme inhibitory mechanism. Primary target for the antibacterial drugs is inhibiting dihydrofolate Reductase (DHFR) enzyme which result in inhibition of bacterial folate synthesis and act as bactericidal. In this research article pharmacokinetic properties, bioactivity score, in silico docking studies and toxicity prediction of 10 Schiff base compounds i.e. SB1, SB2, SB3, SB4, SB5, SB6, SB7, SB8, SB9, and SB10 were carried out against dihydrofolate Reductase enzyme (1Mvt) was examined and possible probability were recorded.

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