பார்மசி மற்றும் மருந்து ஆராய்ச்சி இதழ் திறந்த அணுகல்

சுருக்கம்

Pharmacophore base and 3D-QSAR studies in discovery and identification of natural product inhibitors that target Mitochondrial Complex I

Samira Norouzi

Respiratory complex I (NADH- ubiquinone Oxidoreductase) is the largest protein complex of the respiratory chains that catalyzes the transfer of electrons from NADH to coenzyme Q10 (CoQ10). Dysfunction of this protein complex can cause many hereditary and degenerative diseases. Notwithstanding many types of research, the mechanism of action of this complex is not entirely understood. Hence, increasing number of inhibitors of mammalian Complex I may bring about clues to the enzyme mechanism. In this study, a virtual screening method combined with pharmacophore modeling was utilized to search and identify new potential natural compounds acting on inhibition of mitochondrial complex I. To this aim, a 3D QSAR model was made and validated to be utilized in virtual screening in-order to identify a new scaffold.