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All Journal Jurnal Ilmiah Farmasi Jurnal Kesehatan Journal of Pharmaceutical and Medicinal Sciences JURNAL FARMASI GALENIKA Jurnal Mandala Pharmacon Indonesia Jurnal Ilmiah Farmasi Farmasyifa ad-Dawaa : Journal of Pharmaceutical Sciences Jurnal farmasi UIN Alauddin Makassar Eureka Herba Indonesia JURNAL PENGABDIAN MASYARAKAT YAMASI Jurnal Farmasi Galenika Halal Science
Nur Syamsi Dhuha
Universitas Islam Negeri Alauddin Makassar
Religion Biochemistry, Genetics & Molecular Biology Chemistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health

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QSAR, Docking, Screening, Toxicity, And Pharmacokinetic Profile Of 4-Amino-1-Hydroxy-2-Oxo-1,8-Naphthyridine-3-Carboxamide Derivatives As Antihiv-1 Integrase In Silico Hardiyanti Syarif; Jumasni Adnan; Putri Juanti; Nursalam Hamzah; Nur Syamsi Dhuha
Jurnal Mandala Pharmacon Indonesia Vol. 12 No. 1 (2026): Jurnal Mandala Pharmacon Indonesia 
Publisher : Program Studi Farmasi Universitas Mandala Waluya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35311/jmpi.v12i1.1227

Abstract

Integrase is an important molecular target for HIV transmission. The function of integrase inhibitors in overcoming wild-type mutant resistance provides new advances in research. This study aimed to determine the physicochemical properties of 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide derivative compounds on integrase enzyme inhibitory activity for HIV-1 treatment based on the QSAR equation, to determine the ligand-receptor hydrogen bond interaction through molecular relationships, to identify the features that drive the selectivity and activity of compounds targeting the integrase enzyme, to conduct virtual screening, and to predict toxicity and pharmacokinetic profiles in silico. QSAR descriptors, molecular docking, pharmacophore features, and virtual screening were calculated with MOE 2009.10 and statistical analysis with the SPSS Statistics 17.0 program. Then pharmacophore docking was performed on two selected compounds from the ZINC database, toxicity tests were performed with Toxtree and AdmetSAR, and pharmacokinetic profiles were determined with PreADMET. The QSAR model showed the best equation: Log (1/IC50) = -1.72 -0.983235703 Mr +0.146570594 AM1_Dipole +0.0019 AM1-HF -0.0895 log S +0.0000 AM1_Eele. The best scoring value in compound 5e is -78.5465. Both compounds have been predicted for suitability and safety, as well as their pharmacokinetic profiles.
Detection of Porcine Fat in Olive Oil Based Facial Mask Formulations Using Fourier Transform Infrared (FTIR) Spectroscopy Wulandari, Leli; Dhuha, Nur Syamsi; Handayani, Gemy Nastity
Halal Science Volume 2 Issue 1 (2026)
Publisher : ETFLIN

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.58920/halal0201628

Abstract

The authentication of lipid sources in cosmetic products is essential due to regulatory, ethical, and religious concerns, particularly regarding the potential presence of porcine-derived ingredients. This study aimed to evaluate the applicability of Fourier Transform Infrared (FTIR) spectroscopy combined with Principal Component Analysis (PCA) for differentiating lipid profiles in olive oil–based facial mask formulations. Reference lipids, including porcine fat and olive oil, as well as lipid extracts from five commercial cosmetic products, were analyzed using FTIR spectroscopy within the mid-infrared region (4000–650 cm⁻¹). Characteristic absorption bands corresponding to triglyceride structures were observed in all samples, while differences between lipid sources were primarily identified within the fingerprint region (1500–1000 cm⁻¹). PCA was applied to enhance spectral discrimination and revealed clear separation between porcine fat and olive oil along the principal components. Most cosmetic samples (HCN, LTL, NR, and QN) were positioned closer to the olive oil reference, whereas one sample (MDG) showed spectral proximity to porcine fat. However, these results reflect spectral similarity rather than definitive confirmation of lipid origin. The findings indicate that FTIR spectroscopy combined with chemometric analysis can provide a rapid and non-destructive approach for preliminary screening of lipid sources in cosmetic matrices. Nevertheless, due to the limited number of samples and the complexity of cosmetic formulations, further studies incorporating broader sample sets and confirmatory analytical methods are required to support its application in halal authentication and quality control.
Co-Authors A Rahmi Azhariani Afrisusnawati Rauf Alfiana Dwi Puspita Alifia Putri Febrianti Doloking, Haeria Dwi Wahyuni Leboe Fatima Abdurrahman Gemy Nastity Handayany Haeria Haeria Haeria Haeria Haeria Haeria Haeria Haeria Haeria Haeria Haeria Haeria Haeria Hardiyanti Eka Putri Hardiyanti Syarif Hardyanti Eka Putri Hasbi, Muhammad Ikram Hasma Nur Putrianti Isriany Ismail Jumasni Adnan Karnila Amir Tahir Khaerani Khaerani, Khaerani Leboe, Dwi Wahyuni Leboe, Dwi Wayuni Muh Ihsan Muhammad Aswad Muhammad Ikram Hasbi Nonci, Faridha Yenny Nur Rezky Rutami A Nur Suci Suci Wahdaniya Nurfadilah Absa Nurhidayah Wahid Nursalam Hamzah Nursalam Hamzah Nurshalati Tahar Pratiwi Ningsi Putri Juanti Reza Ramadhan St Rahmah Akbar Surya Ningsi Syamsuri Syakri UL Miftahurrahmah Wa Sinta Wahyuddin, Munifah Wulandari, Leli