HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS ANTIKANKER SENYAWA TURUNAN FEOFORBID A

KHERIYAH, . (2014) HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS ANTIKANKER SENYAWA TURUNAN FEOFORBID A. Bachelor thesis, UNIVERSITAS MUHAMMADIYAH PURWOKERTO.

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Abstract

Background:Feoforbid a (Pa) is a product of the degradation of chlorophyll a in the cells of green plants that have anticancer effects. Pa used as photosensitizers in Photodynamic Therapy using treatment (PDT). Modification tests were conducted amide derivatives of amino acid variation Pa with the amino acids serine, lysine, arginine. It also predicted the activityof1-hydroxyethyl derivative of feoforbid a. The compounds are then analyzed quantitative structure and activity relationship (QSAR). Objective: This study aimed to obtain feoforbid a derivatives that of potent in treating cancer. Method: This study is acomputational experimentusing ChemDraw software, Microsoft Excel, Gaussian, Molecular Operating Environment (MOE) and SPSS. Results: It has been carried out quantitative analysis of the relationship of structure and activity of anticancer compounds feoforbid a and 4 derivatives using theoretical descriptors in the form ofthe partition coefficient (logP), refraktivitasmolar (Mr), van der waals volume (vol), logarithmic solubility (logS),electronic energy (E_ele) and hydrophobicsurface area(ASA_H). Resultinge quationas follows: Log IC50 = -4,05+ 0,01(ASA_H) + 0,283(logP) + (-0,18)(logS) + (-0,625)(Mr) + (-0,067)(E_ele)+ 0,006(vol) IC50 values obtained samples such as serine (0.0005098 ng/mL); 1-hydroxyethyl (0.0017229 ng/mL); arginine (0.0273077 ng/mL); lysine (0.0301725 ng/mL); and feoforbid a (0.0450796 ng/mL). Conclusion: From the equation obtained the lowest IC50 feoforbid a serine compounds with IC50 value of 0.00050982 ng/mL

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