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Journal : Alchemy : Journal of Chemistry

Studi In Silico Potensi Antikanker Senyawa Kaempferida Arif Fadlan; Tri Warsito; Sarmoko Sarmoko
ALCHEMY:Journal of Chemistry Vol 10, No 1 (2022): ALCHEMY: Journal of Chemistry
Publisher : Department of Chemistry, Faculty of Science and Technology UIN Maulana Malik Ibrahim Malan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18860/al.v10i1.13317

Abstract

 Active compounds as therapeutic agents are mainly found in natural products. Kaempferia pandurata from Kaempferia Genus has been used for the treatment of diseases. K. pandurata contains kaempferol (KMP) which exhibits various biological activities such as anticancer. KMP correlates to death-associated protein kinase 1 (DAPK1) relates to tumor suppression and apoptotic and autophagy mediation. This research aims to evaluate the anticancer potential of kaempferide (a methylated KMP at the C4’ position) against DAPK1 in silico. The research was performed through molecular docking to DAPK1 (5AUX and 5AV3), anticancer activity prediction, drug-likeness analysis, and ADMET (absorption, distribution, metabolism, excretion, and toxicology) evaluation. The binding affinity of kaempferide was -8.0 kcal/mol for 5AUX and 5AV3, respectively. The highest anticancer activity of kaempferide was shown against the prostate carcinoma cell line CWR22R. Kaempferide showed no violation to Lipinski-Veber rule and had good ADMET profile. Keywords: in silico, anticancer, kaempferide  Senyawa aktif dengan potensi terapeutik banyak ditemukan dalam bahan alam. Kaempferia pandurata dari genus Kaempferia telah digunakan dalam pengobatan berbagai penyakit. K. pandurata mengandung kaempferol (KMP) dengan aktivitas biologis beragam, salah satunya adalah antikanker. KMP juga dapat berikatan dengan death-associated protein kinase 1 (DAPK1) yang berhubungan dengan penekanan tumor dan mediasi apoptosis dan autofagi. Penelitian ini mempelajari potensi antikanker kaempferida (KMP yang termetilasi pada posisi C4’) terhadap DAPK1 secara in silico. Penelitian dilakukan melalui penambatan molekular terhadap DAPK1 (5AUX dan 5AV3), perkiraan aktivitas antikanker, analisis drug-likeness, dan prediksi ADMET (absorption, distribution, metabolism, excretion, and toxicology). Afinitas ikatan kaempferida masing-masing sebesar -8,0 kkal/mol untuk 5AUX dan 5AV3. Aktivitas antikanker tertinggi kaempferida ditunjukkan terhadap cell line karsinoma prostat CWR22R. Kaempferida tidak melanggar aturan Lipinski-Veber sesuai analisis drug-likeness dan memiliki profil ADMET yang cukup baik. Kata kunci: in silico, antikanker, kaempferida 
Co-Authors . Anindyajati Abdul Karim, Dewi Damayanti Achmad Baihaqi Ulma Adam Hermawan Adinda Salsabila Aditya Fitriasari Aditya Fitriasari Afif Hariawan Pratama Agung Endro Nugroho Agustin, Lanita Alsadila, Kalista Anandar, Salsabila Fauziah Anindyajati Anindyajati Anjar Hermadi Saputro Aprilia, Vika Arif Ashari Asrada, Syahdan Bama Tangguh Galih Binar Asrining Dhiani Cahyadi, Dzaky Raihan Charisa Nabirawati Sitindaon Choironi, Nur Amalia Dalili Akhmad, Atika Dika Pramita Destiani, Dika Pramita Dirga Dirga Dirga Dito Aditya Sasongko Dwi Aulia Ramdini Dyaningtyas D. P. Putri Dyaningtyas Dewi P. Putri Dyaningtyas Dewi Putri Pamungkas Edy Meiyanto Edy Meiyanto Endah Puspitasari Erna Harfiani Fadlan, Arif Fadlan, Arif Fareza, Muhamad Salman Farhan Fauzan Fauziyya, Riri Fazila, Safia Febrian, Dicky Rizky Fischellya, Dafi Hakim, Ahmad Zammi Autadan Hanif Nasiatul Baroroh HENDRI WASITO Heny Ekowati Hidayaturahmah, Rizky Ihsanti Dwi Rahayu Ingeswari, Aulya Vidiana Irna Windari, Nurul Joko Setyono Joko Setyono Khozin, Muhamad Nur Kireine Kosma Ramadhani Maharani, Putu Audi Mas Mardi Santoso Maulana Malik Mayefis, Delladari Meiyanto, Edy Mohamad Sadikin Muhamad Salman Fareza Muhammad Iqbal Muhammad Salman Fareza Muhammad Yogi Saputra Mukaromah Khoirunnisa, Sudewi Mustikaningtyas, Ika Nabila, Novrilia Atika Nabila, Sofia Zahra Nadiah, Syaadatun Nisa Yulianti Suprahman Novrilia Atika Nabila Nugraha, Yudhi Nugraheni, Zjahra Vianita Nur Adliani Nur Amalia Choironi Nur Ismiyati Nur Ismiyati Oktariza, Yasinda Pamungkas P, Dyaningtyas Dewi Pane, Esteria Christina Pangestu, Maryo Adjie Purwanata, I Gede Raditya Putra, Okta Nama Rahayyu, Annisa Maulidia Ramadhan Triyandi Ratna Asmah Susidarti Refsya Azanti Putri Rehana, Rehana Retno Wahyuningrum Retno Widiastuti Rifki Febriansah Rifki Febriansah Rispriandari, Aulia Ayu Rooswita, Putri Amelia Safei, Imam Samudra, Genta Hafied Naga Sekar Cahyo Nurani Setiyabudi, Lulu Silvia Damayanti Siregar, Fajri Marindra Sukrasno Sukrasno Syahjoko Saputra, Iwan Syazili Mustofa Tantri Liris Nareswari Tri Warsito Tri Warsito Tri Warsito Tria Putriani Triyadi Hendra Wijaya Tuti Sri Suhesti Uswatun Hasanah Vigo Atsil Nugraha Wenda Reka Pratama Wibowo, Muhammad Rizky Windari, Nurul Irna Winni Nur Auli Wisesa, Sindhu Yudhi Nugraha Yulianto, Akbar Zahra, Miralda Ziske Maritska Zusela, Titah