In-silico drug likeness predictions of novel 9-benzyl-6-(furan-2-yl)-2-(N,N dimethylamino)- 9H-purine compound
Arvinder Singh, Ankush Goyal, Navjot Singh Sethi · YMER Digital · 2022
In silico studies, are increasing now-a-days, as through computer mechanics, screening of novel compounds based upon their physicochemical properties is important to reduce the cost of synthesizing novel medicinal compounds. In silico studies by network analysis and throughout screening helps to know and calculate biological activity of medicinal compounds. Novel 9- benzylpurine derivatives synthesized previously are used to study its structure and bioavailability radar, physicochemical properties, lipophilicity, solubility, pharmacokinetics, drug likeness and medicinal chemistry properties. These properties are calculated by use of Chem draw, open babel[16] and SwissADME software available freely. The novel 9-benzyl-6-(furan-2-yl) -2-(N,N dimethylamino)-9H-purine compound[17] shows good druglikeness properties to make it orally active.