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All Journal EKSAKTA: Journal of Sciences and Data Analysis SMARTek Foristek CHEMISTRY PROGRESS IJFAC (Indonesian Journal of Fundamental and Applied Chemistry) Jurnal Dinamika Pengabdian (JDP) Jurnal Penelitian Pendidikan IPA (JPPIPA) Indonesian Journal of Chemistry Chemistry Indonesian Journal of Chemical Research Jurnal Gema Ngabdi ARIKA Molluca Journal of Chemistry Education (MJoCE) BIOEDUPAT: Pattimura Journal of Biology and Learning Jurnal Ilmiah Berkala Sains dan Terapan Kimia Makara Journal of Science Molekul: Jurnal Ilmiah Kimia BAKIRA: Jurnal Pengabdian Kepada Masyarakat Innovation for Community Service Journal Jurnal Abdimas Multidisiplin Jurnal Analis Kesehatan Kendari International Journal of Acta Material
I W. Sutapa
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Halu Oleo University, Kendari, Indonesia.
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Physics Social Sciences Other

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Journal : chemistry progress

 1 
PREDIKSI POTENSI ANTIKANKER SENYAWA TURUNAN XANTHON MENGGUNAKAN HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS (HKSA) Male, Yusthinus; Sutapa, I Wayan; Pusung, Yulian A. D.
CHEMISTRY PROGRESS Vol 11, No 1 (2018)
Publisher : Sam Ratulangi University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35799/cp.11.1.2018.27907

Abstract

ABSTRAK Telah dilakukan penelitian untuk memprediksi potensi antikanker senyawa turunan xanthon menggunakan hubungan kuantitatif struktur dan aktivitas (HKSA) (Quantitative Structure Activity Relationship-QSAR) dengan deskriptor elektronik berupa muatan bersih atom, momen dipol, polarisabilitas, energi HOMO-LUMO, dan Log P yang dihitung menggunakan metode semi empirik PM3. Hasil analisis HKSA menunjukan bahwa model persamaan HKSA terbaik adalah Log IC50 = 18,730 + (-1,042.qC1) + (1,633.qC2) + (3,369.qC3) + (1,257.qC4) + (29,759.qC8) + (53,543.qC9) + (2,337.qC10) + (-0,161.momen dipol) + (1.550.Ehomo) + (-2,919.Elumo) +(0,140.Polarisabilitas) + (0.892. Log P) (n=27; r=0,997; r2=0,993; SE=0,08530; Fhitung/Ftabel=9,1588; PRESS= 50,04021). Penelitian ini menunjukkan bahwa pusat aktif senyawa turunan xanthon terletak pada atom karbon C1, C2, C3, C4 C8, C9 dan C10 sehingga modifikasi substituen pada posisi-posisi ini akan memberikan dampak signifikan terhadap aktifitas antikanker senyawa turunan xanthon  ABSTRACT The research has been done to predict anti cancer potential of xanthon derivative compounds using Quantitative Structure Activity Relationship (QSAR) with electronic descriptor such as : atomic net charge, dipole moment, polarizability, HOMO-LUMO energy and Log P were calculated by semi-empirical PM3 method. The best QSAR model equation were determined from analysis of multiple linear regression. The result of QSAR analysis shows that best QSAR model equation is Log IC50 = 18,730 + (-1,042.qC1) + (1,633.qC2) + (3,369.qC3) + (1,257.qC4) + (29,759.qC8) + (53,543.qC9) + (2,337.qC10) + (-0,161.momen dipol) + (1.550.Ehomo) + (-2,919.Elumo) +(0,140.Polarisabilitas) + (0.892. Log P) (n=27; r=0,997; r2=0,993; SE=0,08530; Fcal/Ftable=9,1588; PRESS= 50,04021). This research also shows that active site of the xanthon derivatives is located on carbon atom C1, C2, C3, C4 C8, C9 and C10 so that the modification of the substituents in these positions will have a significant impact on the anticancer activity of xanthon derivatives. 
Co-Authors . Mohtar A Netty Siahaya A. A. Jalil A. A. W. Aqdi A. Bandjar A. H. Kasim A. Kamari A. Kamari A. Kamari A. Okto A.N. Zahra Abdul Wahid Wahab Adelin, La Adriani Bandjar Agung Wibawa Mahatva Yodha Alwahab Alwahab Angga Febrian Astawa, Ida Nyoman Bandjar, A. Bandjar, Adriani Bijang, Catherina Manukpadang C. Baskar C. Baskar Catherina M. Bijang Chaterina Bijang D. Sri Dahlan Desy Kamanasa Dewi, Nyoman Diah Utari Dominggus Male E. C. Mandasar E. K. Huliselan Fajri Fitra Amalia Fensia Analda Souhoka Fransina, Eirene G. Gaspersz, Nelson H. Natsir H. Tehubijuluw H. Tehubijuluw Harniati P Rego Hasanela, Nurani Hasria Hehanussa, Susan Hellna Tehubijuluw Hellna Tehubijuluw Hikmayani I Nyoman Sudiana I. S. Ely Imran Imran Jolantje Latupeirissa Kamanasa, Desy Kapelle, Imanuel B. D. Karna Wijaya Karna Wijaya L. Harimu L. Lestari L. O. A. N. Ramadhan L. O. Kadidae L. O. M. Salam La Agusu La Agusu La Ode Ahmad Latupeirissa, Jolantje M. Z. Muzakkar Maahury, Mirella Fonda Mahulau, Nurlina Maryantho Masarrang Matheis F.J.D.P. Tanasale Mealan Lethulur Mirella Fonda Maahury Muhamad Jamal Mutmainnah N. A. Pratiwi N.F. Jaafar Nariskawati Nasution, Annio Indah Lestari Nohong Nohong Nursiah La Nafie P. Taba Pattiasina, Priska Marisa Paulina Taba Polansky Patty Priska Marisa Pattiasina Priska Marissa Pattiasina Pusung, Yulian A. D. R, Irwan R. Ananda R. E. Nugraha R. Subagyo Rahayu Rahayu Ranglalin, Olivia M. Ria Armunanto Ria Armunanto Rosmawaty Harahap Rosmawaty Rosmawaty Ruslin Hadanu S. Fauziah S. Kasim S. Liong S. Mitsudo S. Raharjo Sahidin Sahidin Salim Idris Samual, Ismah Sapulete, Sisca Madona Semuel Simra Pada Sherly J. Sekewael Siahay, Victor P.D. Sohilait, Mario Rowan Sriyanti, Gusti Ayu Komang Syahrir T. Asano Thamrin Azis THAMRIN AZIS Topurtawy, Ronald R. W. O. Mulyana W. O. N. Haryanti W. O. Nurtia W. Riskiyani Wiyasa, I Ketut Y. Fujii Y. Ishikawa Y. Tatematsu Yuli Asmi Rahman Yusthinus T. Male Yusthinus Thobias Male Zainal Syam Arifin