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All Journal Molekul: Jurnal Ilmiah Kimia
Purwati Purwati
Program Studi Kimia, Jurusan MIPA, Fakultas Sains dan Teknik, UNSOED, Purwokerto
Chemical Engineering, Chemistry & Bioengineering Chemistry

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PEMODELAN SENYAWA TURUNAN ASAM KARBAMAT SEBAGAI SENYAWA ANTIKANKER MENGGUNAKAN METODE SEMIEMPIRIS AM1 Senny Widyaningsih; Purwati Purwati; Riyadi Riyadi
Molekul Vol 2, No 2 (2007)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (227.998 KB) | DOI: 10.20884/1.jm.2007.2.2.34

Abstract

4-N-carbamic acid-4’-dimetylpipodopylotoxin and its derivatives are compounds which are synthesized from etoposide (VP 16). These compounds are used as anticancer medicine because they inhibit DNA topoisomerase II enzyme. The enzyme participates in controlling breaking process of DNA double helix bounding in cancer cell. It makes cancer growing cease and dies because cell can not replicate. However, the compound insoluble in water, make a medicine resistant, inhibit metabolism system and poison. It needs to design a modification of new compounds from carbamic acid derivatives which have higher activity. Structure modification was done using Quantitative Structure Activity Relationship (QSAR) which was a computational chemistry application in medicine design process. This research used semiempiris AM1 method to determine the best QSAR equation based on multilinear regression analysize, with log 1/IC50 as dependent variable and independent variables were atomic net charge of qN29, qC30, qO31, qO32, dipole moment, n-octanol-water coefficient partition (Log P), and polarity. The best QSAR equation in this research was : Log 1/IC50 = 4.871 + 12.738 qN29 + 33.183 qC30 + 28.015 qO31 – 3.6 x 10-2 polarity, with N = 13, r =0.907, SE = 0.13025, Fcount/Ftable = 1.901, PRESS = 0.1357. Based on the best QSAR equation, the prediction compounds were 1, 2, 3, 8, and 22 with each IC50 theoretical value were 0.032, 0.034, 0.036, and 0.098 µM.
ISOLASI DAN IDENTIFIKASI SENYAWA KIMIA SERTA UJI AKTIVITAS ANTICANDIDAISIS SERBUK BATANG SIRIH DUDUK (Piper sarmentosum Roxb. Ex Hunter) Suwandri Suwandri; Hartiwi Diastuti; Purwati Purwati
Molekul Vol 2, No 2 (2007)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (122.57 KB) | DOI: 10.20884/1.jm.2007.2.2.33

Abstract

Sirih duduk or Piper sarmentosum Roxb. ex Hunter have been long used the people in Indonesia for traditional medicine to cure various diseases. One of them was used to treat fungoid diseases. This research was aimed to examine the anticandidaisis activity from extract of P. sarmentosum bark, isolate and identify anticandidaisis compounds from P. sarmentosum bark. The isolation of bioactive compounds of P. sarmentosum bark was performed by extraction the powder of P. sarmentosum bark using methanol. The methanol extract was then fractionated using n-hexane, chloroform and ethylasetat. The fractions respectively was examined their activity against C. albican. The active extract was then fractionated performed by coloumn chromatography and was then separated performed by thin layer chromatography. Identification of bioactive compound was carry out using gas chromatography-mass spectrometry (GC-MS). The results show that chloroform, ethylasetat and methanol extracts of P. sarmentosum have more activities against C. albicans than miconazol. Bioactive compound from extract of P. sarmentosum bark was bis(2-ethylhexyl)phtalat.
Co-Authors Hartiwi Diastuti Riyadi Riyadi Senny Widyaningsih Suwandri Suwandri