Melola Discovery

← Melola Discovery

Journal

Analisis Hubungan Kuantitatif Struktur dan Aktivitas Calcium Channel Blocker Senyawa Turunan Dihidropiridin

Indonesian Journal of Chemical Science · Vol. 5 No. 1 (2016)

DOI
10.15294/ijcs.v5i1.9168
ISSN
2502-6844, 2252-6951
Published
2016-05-01
Publisher
Universitas Negeri Semarang
Language
eng

Abstract

Analisis hubungan kuantitatif struktur dan aktivitas (HKSA) calcium channel blocker (CCB) model senyawa turunan dihidropiridin menggunakan deskriptor sterik, hidrofobik dan elektronik. Optimasi model senyawa turunan dihidropiridin menggunakan metode DFT dengan basis set 6-31G memakai software Gaussian09W, dan nilai deskriptor diperoleh berdasarkan perhitungan kimia komputasi menggunakan software Gaussian 09W dan MarvinBeans. Data deskriptor yang digunakan untuk menghitung nilai pIC50 dan dibandingkan dengan data eksperimen. Hasil perhitungan diperoleh menggunakan software IBM SPSS Statistics 21 dan dianalisis menggunakan metode regresi multilinear dan diperoleh persamaan HKSA: pIC50 = 42,881 + (-219,745) Energi HOMO + (-896,757) Energi LUMO + (-4,521) Momen dipol + (8,151) Log P + (-0,436) Indeks Platt + (-2,314) Indeks Balaban + (0,356) Indeks Harary + (-0,005) Indeks Hyperwiener + (0,013) Indeks Szeged + (-6,302) Wiener polarity + (1,901) Refractivity (n = 14; R = 0,995; R2 = 0,990387; SE = 0,20893; PRESS = 0,087304) Berdasarkan persamaan HKSA tersebut, didapatkan prediksi turunan senyawa dihidropiridin yang sangat berpotensi sebagai calcium channel blocker, yaitu 3-etil 5-fenil 4-(4,5-dibromo-1H-imidazol-2-il)-2,6-dimetil-1,4-dihidropiridin-3,5-dikarboksilat dengan nilai pIC50 27,116.

Collaboration network of the authors

40 authors · 162 co-authorship links · 4 across different organisations · showing the 40 most connected

Hover or tap a name to highlight its co-authors. Double-click to open the author's page.

  • State University of Semarang
  • Universiti Teknologi MARA
  • Affiliation unknown
  • Different organisations
  • Same organisation
  • Affiliation unknown
  • Thicker line = more joint articles · bigger circle = more articles
Show as table
Co-authorOrganisationJoint articles
Endang SusilaningsihState University of Semarang7
Agung Tri PrasetyaState University of Semarang6
Sri HaryaniAffiliation unknown4
Sudarmin SudarminAffiliation unknown3
Harjono HarjonoAffiliation unknown3
Kasmadi Imam SupardiState University of Semarang3
Sri Susilogati SumartiState University of Semarang3
Nanik WijayatiState University of Semarang2
Sri NurhayatiState University of Semarang2
Nuni WidiartiState University of Semarang2
Harjito HarjitoAffiliation unknown2
Cepi KurniawanState University of Semarang1
M. DhiyaulkhaqState University of Semarang1
D. NasekhahAffiliation unknown1
M. H. IsmailUniversiti Teknologi MARA1
Novi Ratna DewiState University of Semarang1
Mahfud SyahroniAffiliation unknown1
Siti Herlina DewiState University of Semarang1
Eko Budi SusatyaAffiliation unknown1
Norma EralitaAffiliation unknown1
Rr. S.E PujiastutiAffiliation unknown1
Yosephine Debbie DamayantiAffiliation unknown1
Willy Tirza EdenAffiliation unknown1
M. Kholid Baror AbadiAffiliation unknown1
Zalfa Dwirakhma SaharaniAffiliation unknown1
Istijabah MufsirohAffiliation unknown1
Siti KhotijahAffiliation unknown1
Soeprodjo M.SiAffiliation unknown1
utari yulianingsihAffiliation unknown1
Woro SumarniState University of Semarang1
Stella Dila AsmaraAffiliation unknown1
Yuli AtriyantiAffiliation unknown1
Uma Fadzilia ArifinAffiliation unknown1
Murbangun NuswowatiState University of Semarang1
Resa Ani LestariAffiliation unknown1
Hikmatun Nurul KhotimAffiliation unknown1
Anna Nashrullah NashrullahAffiliation unknown1

Affiliations come from OpenAlex; journal OAI-PMH metadata carries none. Authors without an OpenAlex ID are matched by name, which can merge or split people.

Metadata source: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/sju/index.php/ijcs/oai, first harvested 5 Nov 2026, last seen 5 Nov 2026.
Original metadata (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<dc:title xml:lang="en-US">Analisis Hubungan Kuantitatif Struktur dan Aktivitas Calcium Channel Blocker Senyawa Turunan Dihidropiridin</dc:title>
	<dc:creator>Syaifudin, Moh</dc:creator>
	<dc:creator>Kasmui, Kasmui</dc:creator>
	<dc:creator>Hadisaputro, Subiyanto</dc:creator>
	<dc:description xml:lang="en-US">Analisis hubungan kuantitatif struktur dan aktivitas (HKSA) calcium channel blocker (CCB) model senyawa turunan dihidropiridin menggunakan deskriptor sterik, hidrofobik dan elektronik. Optimasi model senyawa turunan dihidropiridin menggunakan metode DFT dengan basis set 6-31G memakai software Gaussian09W, dan nilai deskriptor diperoleh berdasarkan perhitungan kimia komputasi menggunakan software Gaussian 09W dan MarvinBeans. Data deskriptor yang digunakan untuk menghitung nilai  pIC50 dan dibandingkan dengan data eksperimen. Hasil perhitungan diperoleh menggunakan software IBM SPSS Statistics 21 dan dianalisis menggunakan metode regresi multilinear dan diperoleh persamaan HKSA: pIC50 = 42,881 + (-219,745) Energi HOMO + (-896,757) Energi LUMO + (-4,521) Momen dipol + (8,151) Log P + (-0,436) Indeks Platt + (-2,314) Indeks Balaban + (0,356) Indeks Harary + (-0,005) Indeks Hyperwiener + (0,013) Indeks Szeged + (-6,302) Wiener polarity + (1,901) Refractivity (n = 14; R = 0,995; R2 = 0,990387; SE = 0,20893; PRESS = 0,087304) Berdasarkan persamaan HKSA tersebut, didapatkan prediksi turunan senyawa dihidropiridin yang sangat berpotensi sebagai calcium channel blocker, yaitu 3-etil 5-fenil 4-(4,5-dibromo-1H-imidazol-2-il)-2,6-dimetil-1,4-dihidropiridin-3,5-dikarboksilat dengan nilai pIC50 27,116.</dc:description>
	<dc:publisher xml:lang="en-US">Universitas Negeri Semarang</dc:publisher>
	<dc:date>2016-05-01</dc:date>
	<dc:type>info:eu-repo/semantics/article</dc:type>
	<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
	<dc:type xml:lang="en-US">Peer-reviewed Article</dc:type>
	<dc:format>application/pdf</dc:format>
	<dc:identifier>https://journal.unnes.ac.id/sju/ijcs/article/view/9168</dc:identifier>
	<dc:identifier>10.15294/ijcs.v5i1.9168</dc:identifier>
	<dc:source xml:lang="en-US">Indonesian Journal of Chemical Science; Vol 5 No 1 (2016)</dc:source>
	<dc:source>2502-6844</dc:source>
	<dc:source>2252-6951</dc:source>
	<dc:source>10.15294/ijcs.v5i1</dc:source>
	<dc:language>eng</dc:language>
	<dc:relation>https://journal.unnes.ac.id/sju/ijcs/article/view/9168/5893</dc:relation>
</oai_dc:dc>