Article Per Year (5 Year)
p-Index From 2021 - 2026
3.265
P-Index
This Author published in this journals
All Journal Jurnal Natur Indonesia BIOTROPIA - The Southeast Asian Journal of Tropical Biology e-Journal Pustaka Kesehatan BERKALA SAINSTEK Alchemy : Journal of Chemistry Biogenesis: Jurnal Ilmiah Biologi Indonesian Journal of Cancer Chemoprevention Indonesian Journal of Pharmaceutical Science and Technology INDONESIAN JOURNAL OF PHARMACY Pharmascience The Indonesian Biomedical Journal JSFK (Jurnal Sains Farmasi & Klinis) JPSCR : Journal of Pharmaceutical Science and Clinical Research PHARMACY: Jurnal Farmasi Indonesia (Pharmaceutical Journal of Indonesia) Jurnal Ilmu Kefarmasian Indonesia Nusantara Science and Technology Proceedings Jurnal Katalisator IJSS Borneo Journal of Pharmacy Jurnal Kefarmasian Indonesia
Ari Satia Nugraha
Drug Utilisation And Discovery Research Group, Faculty Of Pharmacy, University Of Jember, Jember, Indonesia 68121
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Public Health Social Sciences Veterinary Other

Published : 34 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : BERKALA SAINSTEK

 1 
Virtual Screening of Inhibitor Compounds for HL-60 Cell Line Using QSAR and Molecular Docking Approaches Putri Handayani, Maulina Surindri; Sudarko, Sudarko; Nugraha, Ari Satia
BERKALA SAINSTEK Vol 12 No 1 (2024)
Publisher : Universitas Jember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.19184/bst.v12i1.42341

Abstract

Leukaemia is a type of heterogeneous malignancy disease in which the number of immature white blood cells in the bone marrow is increased or poorly differentiated. Inhibitors of HL-60 cell line are important drugs in the treatment of leukaemia. This study aims to identify potential inhibitors for HL-60 leukaemia cells using virtual screening with QSAR and molecular docking approaches. The best QSAR model obtained was the model with R2 testing value of 0.72. The best model was applied to the Enamine database, obtained 3,841,278 compounds with pIC50 above 9 were clustered to end up with 50 inhibitor candidate compounds. The compounds were further studied through molecular docking against CDK- 2 and BCL-2 target proteins with binding free energy analysis. Screened compounds have high inhibitory potential against CDK-2 and BCL-2 target proteins in HL-60 cells which can be proposed as potential inhibitors of HL-60 cells. These compounds can be further tested for the development of more effective antileukaemia drugs.
Co-Authors Adinda Kusuma Pertiwi Afrian Rosyadi Aissa Dinar Yanuariski Alfarisyi, Muhammad Iqbal Amrina Rosyada Fajriyanti Andhika Puspito Nugroho Arthur Hariyanto Prakoso Arthur Hariyanto Prakoso Arthur Hariyanto Prakoso Arthur Hariyanto Prakoso Asia Asia Asia Asia Asia Asia Asia, Asia Ayik Rosita Puspaningtyas1 Azhari, Nuri Putri Azis, Deri Abdul Bambang Kuswandi Bambang Kuswandi Banun Kusumawardani Bawon Triatmoko Billy Harnaldo Putra, Dini Fatmi, Dewi, Itut Septiana Dian Agung Pangaribowo Dinar Mutia Rani Dinarwati, Sri Dwi Koko Pratoko Endah Puspitasari Fathunnisa, Fathunnisa Fawwas Batio Putra Pamungkas Febi, Qonita Nafilah Gani Asri Muharam Gani Asri Muharam Gusriyani, Sri Harry Ade Saputra Ifan Arif Maulana Ilma, Laila Nurul Indah Purnama Sary, Indah Purnama Indah Purnamasary Ita Husnul Chotimah Iyan Setiawan Kartika Senjarini Kintoko Kintoko Larissa Tania Lestyo Wulandari Lestyo Wulandari Luh Putu Ratna Sundari Mardani Eka Ningrum Mariatul Kibthiyyah Muhammad Habiburrohman Muhammad Habiburrohman Muhammad Habiburrohman Muhammad Zainul Arifin Muhammad Zainul Arifin Muhammad Zainul Arifin Muhammad Zainul Arifin Muharam, Gani Asri Nafa Rosyida Zanuba Naura Bathari Winarto Nimas Ayu Amanda Putri Ninisita Sri Hadi Nugroho, Irfan Agus Nuri Putri Azhari Pairah, Pairah Prakoso, Arthur Hariyanto Putri Handayani, Maulina Surindri Rike Oktarianti Rofiko Nuning Rahayu Rohmatillah, Wilda Nur Romadhona, Ananda Briliana Rosidah, Malihatul Saeful Akhmad Tauladani Savitri, Ganevi Resta Septianingtyas, Christabel Reviana Silvya Fitri Nur Azizah Sri Untari Siwi Sudarko Sudarko Syubbanul Wathon, Syubbanul Tauladani, Saeful Akhmad Untari, Ludmilla Fitri Wilda Nur Rohmatilah Wilda Nur Rohmatillah Wilda Nur Rohmatillah Wilda Nur Rohmatillah Yandy Noviandri Yashinta Nirmala Siswanti Yoshinta Debby Yulia Yesti, Yulia Ziyan Nihlatul Millah