The College of Pharmacy discussed the MSc thesis entitled “In-Silico Studies, Synthesis, and Preliminary Cytotoxicity and Antibacterial Evaluation of New Indole Based Compounds” by the student Ali Fakhri Jamil and his supervisor, Assistant Professor Dr. Ayad Abed Ali Al-Hamashi, at the Pharmaceutical Chemistry Department. The study aimed to add new indole-based compounds with the in-silico evaluation of their inhibition of sirtuin enzymes, as well as the in-vitro evaluation of their cytotoxic and antibacterial effects. The study included molecular docking and dynamic simulation studies for the designed molecules, chemical synthesis, evaluation of cytotoxic action against the MCF7 breast cancer cell line through MTT assay, and evaluation of antibacterial action against S. aureus and K. pneumoniae through MIC determination. The molecular docking results showed high affinity toward the target enzymes; the MTT assay showed the highest activity for compound AFJ7 with an IC50 of 2.44 μM, while compound AFJ5 showed superior MIC values of 500 and 62.5 μg/mL against S. aureus and K. pneumoniae, respectively. The study recommended the synthesis of more derivatives with the expansion of in vitro and in vivo biological studies.
