COMPUTATIONAL ASSESSMENT OF DIFFERENT CANCER CONTROLLING DRUGS. Pharmacological & Toxicological Assessment through an In Silico Approach

      Аннотация: In clinic different chemotherapeutic drugs are used for cancer treatment. Among these, adjuvant and anti-angiogenic groups of drugs are considered to be safe and less toxic, as conventional pharmacological or toxicological analyses do not report any adversity. However, several scanty reports suggest some toxicity when used for long term. Molecular docking based computational analysis showed several off-target toxicity of different clinically used drugs. Moreover, heavy metal namely, arsenic, deposition or toxicity causes cancer of several organs. Though several arsenic chelator drugs are available, but conventional pharmacological investigations do not find any organ specific (chelator) drug. In this aspect computational molecular docking based analysis may help us to choose a specific drug for removing arsenic deposit from a particular organ. Moreover molecular docking studies established the importance of blood albumin analysis for early detection of arsenic toxicity. Overall this work entails that computational molecular docking based analysis could be helpful where conventional pharmacological and/or toxicological analysis is not possible.

Ключевые слова: Pharmacology, Off-target toxicity, Cancer Chemotherapy, anti-angiogenic drug, adjuvant drug, metal chelator