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All Journal Jurnal Kimia (Journal of Chemistry) Molekul: Jurnal Ilmiah Kimia Jurnal Ilmiah Berkala: Sains dan Terapan Kimia Media Farmasi Indonesia

Iqmal Tahir

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Author-ID : 2922449

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Immunology & microbiology Medicine & Pharmacology Other

Published : 5 Documents Claim Missing Document

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Articles

MOLECULAR MODELING STUDY OF BORIC ACID IMPRINTED POLYMER FOR QUARTZ CRYSTAL MICROBALANCE APPLICATION Iqmal Tahir; Mohd Noor Ahmad; A.K.M. Shafiqul Islam; Dahyar Arbain
Jurnal Kimia (Journal of Chemistry) Vol. 6, No. 2 Juli 2012
Publisher : Program Studi Kimia, FMIPA, Universitas Udayana (Program of Study in Chemistry, Faculty of Mathematics and Natural Sciences, Udayana University), Bali, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (283.76 KB)

Design of boric acid imprinted polymer has Been conducted using molecular modeling approach to fabricate thYn film for sensor applications on quartz crystal microbalance. The study was carried out to find an optimum mole ratio between boric acid as the template and methacrylic acid as functional monomer. Molecular modeling was performed using AM1 semiempirical – quantum mechanics on Hyperchem 8.0 software. The result showed was stabilite of supramolecular structure between boric acid and methacrylic acid on ratios of 1:3 and 1:6. Recommendation of boric acid imprinted polymer is suggested to synthesize on mole ratio of 1:3.

ANALISIS HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIVITAS ANTITOKSOPLASMA SENYAWA ANALOG KUINOLON MENGGUNAKAN DESKRIPTOR TEORITIK Iqmal Tahir; Nur Fitri Fatimah; Ria Armunanto
Jurnal Sains dan Terapan Kimia Vol 6, No 2 (2012)
Publisher : Program Studi Kimia, Universitas Lambung Mangkurat

Analisis Hubungan Kuantitatif Struktur dan Aktivitas (HKSA) antitoksoplasma dari 24 senyawa analog kuinolon telah dilakukan berdasarkan analisis regresi multilinear. Jenis deskriptor yang digunakan adalah parameter teoritik hasil perhitungan meliputi deskriptor-deskriptor lipofilisitas (log P), sterik (indeks Harary dan indeks Randic), dan elektronik (muatan bersih atom dan selisih energi HOMO-LUMO). Terhadap setiap senyawa ditentukan nilai log P dan indeks sterik, kemudian perhitungan struktur elektronik dilakukan dengan metoda semiempirik AM1 melalui tahapan optimasi geometri. Data aktivitas antitoksoplama (IC50) didapatkan dari literatur dan dinyatakan sebagai nilai log 1/IC50. Analisis MLR dilakukan terhadap data awal yang dipisahkan secara acak menjadi data fitting dan data uji. Persamaan QSAR akhir diperoleh dengan analisis terhadap data total. Hasil penelitian ditunjukkan dengan model persamaan QSAR terpilih yang dipresentasikan dalam persamaan: log1/IC50 83,2870,522.E-225,7.qC4 7,963.qC5 4,285.qX8 32,329.qC9 -956.q1  172007.q2  5. dengan n = 24; r = 0,942; r2 = 0,887; SE = 0,254; Fhit/Ftab = 5,586 Kata Kunci: quinolon, QSAR, antitoksoplasma

OPTIMISASI RASIO DIAZINON/ASAM METAKRILAT SECARA TEORITIK BERDASARKAN METODA SEMIEMPIRIK AM1 UNTUK SINTESIS POLIMER TERCETAK MOLEKUL Andrian Saputra; Karna Wijaya; Mohd Noor Ahmad; Iqmal Tahir
Jurnal Sains dan Terapan Kimia Vol 7, No 2 (2013)
Publisher : Program Studi Kimia, Universitas Lambung Mangkurat

Rasio optimum diazinon/asam metakrilat pada desain polimer tercetak molekul untuk aplikasi sensor diazinon berbasis quartz crystal microbalance telah ditentukan secara teoritik menggunakan perhitungan mekanika kuantum semiempirik AM1. Kajian ditentukan berdasarkan pemodelan molekul yang mempelajari interaksi non kovalen antara diazinon sebagai templat dan asam metakrilat sebagai monomer fungsional. Analisis dilakukan untuk mencari kestabilan komplek yang terbentuk dengan berdasarkan parameter energi interaksi antara diazinon dan asam metakrilat yang dilakukan dengan menggunakan perangkat lunak Hyperchem 7.5. Hasil penelitian menunjukkan pembentukan komplek stabil terjadi dengan melibatkan ikatan hidrogen. Untuk kompleks dengan energi interaksi optimum diperoleh dari komplek diazinon/asam metakrilat dengan rasio 1:3, yang kemudian direkomendasikan sebagai rasio mol optimum pada sintesis polimer tercetak diazinon. Kata kunci : diazinon, asam metakrilat, semiempirik AM1, polimer tercetak molekul, Quartz Crystal Microbalance

Quantitative Structure-Activity Relationship Analysis of Xanthone Derivates as Cytotoxic Agents in Liver Cancer Cell Line HepG2 Isnatin Miladiyah; Iqmal Tahir; Jumina Jumina; Sofia Mubarika; Mustofa Mustofa
Molekul Vol 11, No 1 (2016)
Publisher : Universitas Jenderal Soedirman

The study of xanthone derivatives as cytotoxic agents in cancer is increasing. This study was conducted to explore the Quantitative Structure-Activity Relationship (QSAR) of xanthones as cytotoxic agents in HepG2 cells, to find compounds with better potency. The data set were taken from the previous study, involving 26 xanthone derivates and their cytotoxic activities in Inhibitory Concentration 50% (IC50). The parameters (descriptors) were obtained from quantum mechanics calculation using semiempirical AM1 method and QSAR models determined with principle component regression, with log (1/IC50) as a dependent variable and five latent variables as independent variables. From the 26 main descriptors, PCR reduced them to five latent variables (1st– 5th LV). The QSAR analysis gave the best model as follows: log (1/IC50) = 4.592 – 0.204 LV1 + 0.295 LV2 + 0.028 LV3 (n = 26, r = 0.571, SE = 0.234, Fcount/Ftable ratio = 1.165, PRESS value = 3.766). The study concluded that the descriptors contributed to anticancer activity were volume, mass, surface area, log P, dipole moment, HOMO energy, LUMO energy, and atomic net charge of some atoms. Modifications of substitution that would contribute to cytotoxic activity can be performed at phenyl ring A and C, but not at B.

ANALISIS HKSA SENYAWA TURUNAN EURIKUMANON SEBAGAI ANTIMALARIA MENGGUNAKAN PENDEKATAN REGRESI LINIER BERGANDA Hanifah Yusuf; Mustofa; Mahardika Agus Wijayanti; Ratna Asmah Susidarti; Andrian Saputra; Iqmal Tahir
Media Farmasi Indonesia Vol. 8 No. 1 (2013): Media Farmasi Indonesia
Publisher : SEKOLAH TINGGI ILMU FARMASI YAYASAN PHARMASI SEMARANG

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (431.819 KB)

Quantitative Structure Activity Relationship (HKSA) study of eurycomanone derivatives as antimalarial compound was done using multiple linear regression approaches. HKSA equation was obtained from theoretical descriptors data which involved atomic net charges (q), partition coefficient (log P), molecular volume (VM), molecular surface area (LP), molecular weight (BM), and HOMO-LUMO energy differences (EHOMO-ELUMO) versus minimum concentration to inhibit 50% of parasite growth Plasmodium falciparum (log IC50) growth. Descriptors data were obtained by applying AM1 semiempirical quantum mechanics calculation using Hyperchem 7.5 software, while the regression data processes were runned using SPSS 17.0 program. Based on multiple linear regression approaches, there is a selected quantitative relationship between log IC50 to the descriptors that was shown by HKSA equation below: Log IC50 = – 3048.930 + 5137.957qC2 – 13799.126qC5 – 1537.764qC12 + 556.313qC16 – 817.654qO29 + 4.654log P – 0.146VM + 0.270BM with n =10, r = 0.982, SE = 1.262, Fcalc/Ftable = 17.805, and PRESS = 1.593

Co-Authors A.K.M. Shafiqul Islam Aminuyati Andrian Saputra Dahyar Arbain Hanifah Yusuf Isnatin Miladiyah Jumina Jumina Karna Wijaya Mahardika Agus Wijayanti Mohd Noor Ahmad Mustofa Mustofa Nur Fitri Fatimah Ratna Asmah Susidarti Ria Armunanto Sofia Mubarika Haryana

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