Cy totoxic ac tivity pred iction of ۲-chloroethylnitros oureas using quant um chemical study and sensitivity ana lysis

Alkyl ating agents are among the oldest class of an ticancer drugs and are utilized to treat leuke mia and solid tumors. They encomp ass a broad range of structurally diverse agents that includes nitrogen mustards, methylating agents, platinating agents and nitrosoureas[۱]. Nitrosoureas diffe r from oth er members of this clas s in being relatively lipid soluble, non-ionized and there fore capable of crossing the blood- brain barrier. Computati onal biology and bioinformatics have the pot ential not only to speed up the drug discov ery process, thus reducing the costs, but also to change the way drugs are designed [۲]. Therefore, In this study, attem pted has bee n made to expand the potential us e of structural-chemical properties to the discov ery of new anti-tumor agents and to use the structural-chemical properties to predict cytotoxic activity of untested drugs or design of better and more effective drugs.

کلیدواژه ها:

۲-chloroethylnitrosoureas ، q uantum chemical study ، neural network ، sensitivity analysis