Article Per Year (5 Year)
p-Index From 2021 - 2026
3.137
P-Index
This Author published in this journals
All Journal International Journal of Advances in Applied Sciences Journal of Food and Pharmaceutical Science Pharmaciana: Jurnal Kefarmasian Indonesian Journal of Pharmaceutical Science and Technology Indonesian Journal of Biotechnology Jurnal Surya Masyarakat Jurnal Ilmu Kefarmasian Indonesia Jurnal Surya Masyarakat SPEKTA (Jurnal Pengabdian Kepada Masyarakat : Teknologi dan Aplikasi) Jurnal Kajian Ilmiah Open Community Service Journal Indonesian Journal of Pharmacy and Natural Product JAMAS: Jurnal Abdi Masyarakat Journal of Food and Pharmaceutical Sciences
Novitasari, Putri Rachma
Universitas Ahmad Dahlan
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Physics Public Health Social Sciences Other

Published : 21 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 21 Documents
Search

 1   2   3 
In Silico Evaluation of Black Cumin Oil Constituents for Selective Anti-Inflammatory Inhibitor of COX-2 And 5-LOX Mufidah, Syarifatul; Putri Rachma Novitasari; Prita Anggraini Kartika Sari; Hani Badriyah Hidayati
Indonesian Journal of Pharmacy and Natural Product Vol. 8 No. 02 (2025): Indonesian Journal of Pharmacy and Natural Product
Publisher : Universitas Ngudi Waluyo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35473/ijpnp.v8i02.4420

Abstract

Black cumin oil (Nigella sativa) is widely known for its anti-inflammatory properties, attributed to various bioactive compounds. This study aimed to evaluate the binding affinity and selectivity of five major compounds from black cumin oil: dithymoquinone, thymoquinone, thymohydroquinone, p-cymene, and thymol, against key inflammatory enzymes: COX-1, COX-2, and 5-LOX, using an in silico approach. All compounds were assessed for drug-likeness using Lipinski’s Rule of Five before molecular docking with AutoDock Vina. Celecoxib, a selective COX-2 inhibitor, was used as a reference compound. Dithymoquinone demonstrated strong binding affinity to COX-2 (-9.3 kcal/mol) and 5-LOX (-8.4 kcal/mol), comparable to celecoxib (-9.9 and -8.3 kcal/mol, respectively), while showing lower affinity for COX-1 (-7.5 kcal/mol). The interaction analysis revealed hydrogen bonds and van der Waals forces with several active site residues, suggesting a stable and selective interaction. Other compounds showed moderate to high affinity but lacked the same degree of selectivity due to their interaction with COX-1. These findings indicate that dithymoquinone has the potential to act as a selective anti-inflammatory agent with a reduced risk of gastrointestinal side effects commonly associated with non-selective NSAIDs. The results support further investigation of dithymoquinone in preclinical and clinical settings to validate its efficacy and safety.
Co-Authors Adi Permadi, Adi Adyaqsa Prihatmadi, Farhan Agung Dwi Nugroho, Agung Dwi Agung Endro Nugroho Agung Endro Nugroho Andi Rifki Rosandy Andriana Sari Andriana Sari Anton Yudhana Astri Desmayanti Azis Ikhsanudin Baiq Maylinda Gemantari Barkah Djaka Purwanto Baroroh, Faridah Budiastuti, Pramudita Desmayanti, Astri Dessy Pranungsari Dwi Nugroho, Agung Dyah Aryani Perwitasari Erna Astuti Faridah Baroroh Fatma Nuraisyah, Fatma Febri Utami Firdausi, Azzahro Aulia Fitri Indah Setiyawati Fitriani, Isah Hanastiti Hani Badriyah Hidayati Hardi Astuti Witasari Hardi Astuti Witasari Imaniar Ranti Juwitaningtyas, Titisari Kesya Riza Purnama, Sarasevita Kintoko Kintoko Kintoko Kintoko Kodriati, Nurul Lina Widiyastuti Lolita Lolita Mufidah, Syarifatul Nilmawati Nilmawati Nina Salamah Nining Sugihartini Novia Tri Astuti Nuari, Yudha Rizky Nurul Kodriati Prihatmadi, Farhan Adyaqsa Prita Anggraini Kartika Sari Prita Anggraini Kartika Sari Purwanto, Barkah Djaka Putri, Nur Syifa Rachmawati Widyaningrum Ramadhan, Muhammad Kaisar Sutomo Ranti, Imaniar Ratu Matahari Ratu Matahari Raymond R. Tjandrawinata Rifki Febriansah Rifki Febriansah Rusdi, Niswa Fadilah Saputri, Ginanjar Zukhruf Setiyawati, Fitri Indah Setyanto, Barry Nur Son Ali Akbar Suwijiyo Pramono Suwijiyo Pramono Syamsuddin, Arief Utami, Febri Widyaningrum, Rachmawati Wulandana, Rachmadian Yulianto Yulianto Yulianto Yulianto Zainab Zainab