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Molecular Docking Study of Substituted Benzamide Derivatives as Analgesic Candidates Rahmawati, Rahmawati; Razak, Rais; Fawwaz, Muammar
Borneo Journal of Pharmacy Vol. 8 No. 3 (2025): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v8i3.8715

Abstract

Thiourea derivatives represent a diverse class of compounds exhibiting a range of pharmacological activities, including antitubercular, analgesic, antiviral, and anticancer effects. Of particular interest is N-allyl-N'-(benzoylcarbamothioyl)benzamide, which is hypothesized to possess analgesic properties. A comprehensive in silico molecular docking study was undertaken to evaluate this potential. In silico assays, leveraging computer simulations, are invaluable tools for predicting outcomes, generating hypotheses, and accelerating drug discovery. Molecular docking, a prominent in silico application, facilitates structure-based screening by computationally assessing the binding affinity of compounds to target proteins. This research specifically aimed to predict the analgesic activity of N-allyl-N'-(benzoylcarbamothioyl)benzamide derivatives. To achieve this, various substituents, including methyl, methoxy, tert-butyl, dimethylamino, and halogens, were strategically incorporated at the ortho, meta, and para positions of the benzoylcarbamothioyl ring, generating a library of novel analgesic drug candidates. Compound activity was primarily evaluated using the rerank score. Additionally, ProTox-3.0 and pkCSM were utilized to predict these synthesized compounds' toxicity and physicochemical properties. Initial findings were encouraging, with 18 derivatives of N-allyl-N'-(benzoylcarbamothioyl)benzamide demonstrating enhanced predicted analgesic activity. Among these, six compounds exhibited promising analgesic properties without predicted toxicity. In conclusion, these in silico results suggest that certain N-allyl-N'-(benzoylcarbamothioyl)benzamide derivatives hold significant promise as potential analgesic agents, warranting further validation through subsequent laboratory and in vivo investigations.
The Role of Iron (Fe) in Health and Medicine: Scientific Interpretation of Surah Al-Hadid Verse 25 Fawwaz, Muammar; Sampurno, Bambang
Pharmaceutical Reports Vol 4, No 2 (2025): (October) Pharmaceutical Reports
Publisher : Universitas Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33096/pharmrep.v4i2.381

Abstract

Iron is a vital element for life, playing essential roles in oxygen transport, metabolism, enzymatic activity, and cognitive development. Surah Al-Hadid [57]:25 of the Qur’an references iron, which aligns with its biological, medical, and cosmic significance. This review examines the intersection of Qur’anic references, astrophysical evidence, and biomedical research related to iron, highlighting the numerical correlations between the surah number (57) and Fe-57, and verse 25 with iron’s atomic number (26). Modern astrophysics confirms that iron is synthesized in stars and delivered to Earth via supernovae, echoing the Qur’anic expression “We sent down iron”. Biologically, iron deficiency causes anemia, impaired immunity, and cognitive deficits, while iron-based therapeutics—including oral supplements, parenteral formulations, and nanoparticle-based drug delivery systems—demonstrate its crucial role in human health. Surah Al-Hadid [57]:25 exemplifies the convergence of divine revelation and scientific knowledge, encouraging ethical and informed utilization of natural elements in medicine and technology, reflecting harmony between spiritual guidance and scientific inquiry.
Revealing the Antioxidant Content in Banana Plants: A Nutritional Perspective and Health Benefits Ummum, Andi; Fawwaz, Muammar; Yuliana, Dewi
Pharmaceutical Reports Vol 4, No 2 (2025): (October) Pharmaceutical Reports
Publisher : Universitas Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33096/pharmrep.v4i2.380

Abstract

The banana (Musa paradisiaca L.) is a fruit widely consumed across tropical regions and recognized for its rich nutritional value and diverse bioactive compounds that contribute to human health. This study aims to evaluate the antioxidant content of banana plants from both nutritional and pharmacological perspectives through a comprehensive literature review. The review was conducted using scientific articles and official guidelines published between 2015 and 2025. The findings indicate that the banana pulp contains essential nutrients such as carbohydrates (27%), proteins (1%), and a variety of vitamins and minerals including calcium, potassium, and iron. In contrast, the banana peel, often considered agricultural waste, is abundant in bioactive phytochemicals such as flavonoids, polyphenols, tannins, saponins, and terpenoids, which contribute to its antioxidant potential. Antioxidant activity in banana extracts has been reported using various analytical methods, including DPPH (IC₅₀ = 439.12 µg/mL), FRAP (26.5828 mg QE/g extract), ABTS (IC₅₀ = 60.50–95.85 ppm), CUPRAC (EC₅₀ = 101–150 µg/mL), and CAA (397 ± 5 µmol TE/100 g) assays. Moreover, fruit maturity influences antioxidant capacity, with unripe banana peels generally exhibiting higher antioxidant activity than ripe ones. These results highlight that banana plants, particularly their peels, possess considerable potential as natural antioxidant sources for use in food, nutraceutical, and pharmaceutical applications. Furthermore, the valorization of banana peel aligns with the circular economy concept, promoting sustainable agricultural waste management and environmental conservation.
Chemical Profile Study and Screening in Silico of Cyclooxygenase-2 Inhibitor Chemical Compounds from Ethanol Extract Of Mangosteen Fruit Peel (Garcinia Mangostana L.) Akbar, Harul; Najib, Ahmad; Fawwaz, Muammar
Indonesian Research Journal on Education Vol. 5 No. 1 (2025): Irje 2025
Publisher : Fakultas Keguruan dan Ilmu Pendidikan, Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/irje.v5i1.2091

Abstract

Chemical profile studies and screening in silico of cyclooxygenase-2 inhibitor chemical compounds from ethanol extract of mangosteen fruit peel (Garcinia mangostana L.). The purpose of the study was to determine the profile of chemical compounds contained in ethanol extract of mangosteen fruit peel (Garcinia mangostana L.) which has the potential to be a cyclooxygenase-2 inhibitor by the screening method in silico. The extraction of mangosteen peel (Garcinia mangostana L.) was carried out by maceration method using 96% ethanol solvent for 3 days then filtered and thickened with a rotary vacuum evaporator. An extract with a yield value of 8% is produced. The resulting extract was tested using the GC-MS instrument under the following conditions; injector temperature 250°C, initial oven temperature 70°C, up to 325°C in 10°C/min increments. 100 chemical compounds were obtained and a 2D compound structure was created with ACD/ChemSketch. The cyclooxygenase-2 enzyme model was obtained through the Protein Data Bank (PDB) site with the code 1CX2. Optimization is carried out on chemical compounds with the Discovery Visual Studio program. The docking process was carried out on chemical compounds with cyclooxygenase-2 as the receptor target using the Vina method with the help of the Pyrx program. The value of free energy change (∆G) is evaluated as a result of docking. The docking results showed that the compound contained in the ethanol extract of mangosteen fruit peel (Garcinia mangostana L.) has the potential as an inhibitor of cyclooxygenase-2 in silico and the one that has the best free energy change (∆G) in silico is oleana-11,13(18)-diene with a free energy change (∆G) -12,500 kcal/mol.
Studi Komparasi Potensi Antioksidan Green Extraction dan Ekstraksi Konvensional Ekstrak Daun Gandaria (Bouea macrophylla griff) Alifah, Nur; Ahmad, Aktsar Roskiana; Fawwaz, Muammar
Indonesian Research Journal on Education Vol. 5 No. 1 (2025): Irje 2025
Publisher : Fakultas Keguruan dan Ilmu Pendidikan, Universitas Pahlawan Tuanku Tambusai

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31004/irje.v5i1.2127

Abstract

Tanaman gandaria (Bouea macrophylla griff) telah dilaporkan memiliki aktivitas antioksidan yang tinggi. Hal ini disebabkan tingginya kandungan senyawa antioksidan seperti polifenol, tanin, flavonoid, dan asam askorbat dalam studi skrining fitokimia. Tujuan penelitian ini yaitu untuk melihat perbedaan nilai dari uji aktivitas antioksidan berdasarkan metode ekstraksi modern dan konvensional dan berapa nilai IC50 dari uji aktivitas antioksidan daun gandaria dengan menggunakan metode DPPH berdasarkan perbedaan metode ekstraksi green extraction dan metode konvensional. Hasil penelitian menunjukkan bahwa esktrak daun gandaria (Bouea macrophylla griff) nilai IC50 dengan metode DPPH dengan ekstraksi UAE dan maserasi termasuk dalam kategori kuat berturut-turut 11,319 μg/mL dan 13,331 μg/mL, nilai IC50 pada metode FIC dengan ekstraksi maserasi dan UAE tergolong kuat berturut-turut sebesar 40,428 μg/mL dan 16,262 μg/mL. Hasil penelitian dapat disimpulkan bahwa esktrak daun gandaria (Bouea macrophylla griff) memiliki aktivitas antioksidan.
Polyphenol Content and Antioxidant Evaluation of Kawista (Limonia acidissima) Leaf Extract Fawwaz, Muammar; Pratama, Mamat; Razak, Rais; Andika, Yusrianti; Astika, Elvina; Feralia, Feralia
Borneo Journal of Pharmacy Vol. 7 No. 4 (2024): Borneo Journal of Pharmacy
Publisher : Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33084/bjop.v7i4.7466

Abstract

Kawista or Limonia acidissima, a plant traditionally used by the Bima community, offers potential health benefits. This study aimed to evaluate the antioxidant potential of ethanol extract from L. acidissima leaves by determining total flavonoid content (TFC), total phenolic content (TPC), and antioxidant activity using DPPH, FRAP, and CUPRAC assays. The ethanol extract exhibited significant antioxidant activity, with IC50 values of 10.445 and 135.42 µg/mL for DPPH and CUPRAC assays, respectively. TPC and TFC were determined to be 14.63 mgGAE/g extract and 113.9 mgQE/g extract, respectively. These findings suggest that L. acidissima leaf extract possesses potent antioxidant properties, which may be attributed to its flavonoid and phenolic content. Further research is warranted to explore this plant extract's underlying mechanisms of action and potential therapeutic applications.
Sulfonamide Residue in the Broiler Chicken Circulating in Makassar Fawwaz, Muammar; Razak, Rais; Tahir, Masdiana; Permatasari, Andi; Amula, Andi Tenri; Seniwati, Seniwati
Pharmaceutical Reports Vol 1, No 2 (2022): (October) Pharmaceutical Reports
Publisher : Universitas Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (443.376 KB) | DOI: 10.33096/pharmrep.v1i2.169

Abstract

The use of sulfonamide related to drug residual in the product of broiler chicken, like meat and egg. This research aimed to determine the sulfonamides (sulfamerazine, sulfanilamide, and sulfadiazine) on the broiler chicken meat, breast, and egg from the three different slaughterhouses circulating in the City of Makassar. The sample was extracted by acetonitrile and acetone then concentrated. The extract and sulfonamides then analyzed by HPLC method using C18 reverse phased column, UV-Visible detector in the wavelength of 270 nm. The result of study shows that the chromatogram of sample breast and egg has similar retention time with sulfonamides as a standard reference. The breast sample contains sulfamerazine residues, sample B and C contains 0.014 and 0.005 % (w/w), respectively. The egg sample A and D contains sulfadiazine 0.045 and 0.108 % (w/w), respectively. Sample B contains sulfanilamide 0.053 % (w/w). Sample A and B is egg yolk, while sample D is egg whites. Based on the results obtained, this is not suitable for the rules set by JECFA of 0.1 mg/kg (10-5 % w/w) as well as the standard of SNI. It can be concluded that generally broiler chicken breast and egg circulating in the City of Makassar was contaminated by sulfonamide with high concentration.
Total Flavonoid Content of the Bark Extract of Salacca edulis Reinw Ardin, Nisradhiyah Caesarika; Pratama, Mamat; Widiastuti, Harti; Fawwaz, Muammar
Pharmaceutical Reports Vol 1, No 2 (2022): (October) Pharmaceutical Reports
Publisher : Universitas Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (187.372 KB) | DOI: 10.33096/pharmrep.v1i2.168

Abstract

Salak fruit (Salacca edulis Reinw) is one of the fruits whose bark is not used but contains chemical components in the form of secondary metabolites that are beneficial to health. A previous study reported that the bark of salak fruit has potential as an anti-diabetic, antioxidant. The bark of Salak fruit is traditionally beneficial for the treatment of diabetes mellitus by drying then boiling and drinking the boiled water. Therefore, this study aims to determine the total flavonoid content of the bark extract of the pondoh and honey varieties of salak fruit. A sample of 30 g was dissolved with ethanol in a 10 mL volumetric flask, then 1 mL was pipette and added with 0.2 ml AlCl3 and 0.2 mL potassium acetate then allowed to stand for 30 min at 25°C. After being allowed to stand, it was measured on a UV-Vis spectrophotometer with a wavelength of 442 nm. In the measurement with UV-Vis spectrophotometer, the total flavonoid content of the salak bark extract of pondoh and honey varieties were 5.18 mg QE/g and 5.77, respectively.
Development of primers amplifying DNA barcoding genes matK and rbcL of Legundi (Vitex trifolia) Hartanto, Nadhifah Riski; Sari , Banuwati Kartika; Rahayu, Triasuti; Munawaroh , Rima; Fawwaz , Muammar; Purwono , Bambang; Zulperi, Dzarifah; Prayitno, Trio Ageng; Sidiq, Yasir
Edubiotik : Jurnal Pendidikan, Biologi dan Terapan Vol. 10 No. 02 (2025): Edubiotik : Jurnal Pendidikan, Biologi dan Terapan
Publisher : Biology Education Department, Universitas Insan Budi Utomo, Malang, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33503/ebio.v10i02.1497

Abstract

Legundi (Vitex trifolia) is one of the crucial ethno-pharmacological plants. However, the genetic exploration of these plants in Indonesia remains limited. Moreover, a set of primers can be an initial important step to explore the genetics of V. trifolia as well as to molecularly identify the species of Legundi. This study aimed to develop the two pairs of primers of maturase-K (matK) and ribulose bisphosphate carboxylase large subunit (rbcL) genes. This type of research is exploratory research using a quantitative approach. The research sampling are the leaves of the V. trifolia species, which were collected from Makassar, Indonesia, and the purposive sampling method. The data were obtained through DNA barcoding, and the data were analyzed using bioinformatics analysis. This study found two pairs of developed primers, matK and rbcL, successfully amplified both matK and rbcL target genes of V. trifolia. The newly developed species-specific primers successfully amplified the matK and rbcL genes of V. trifolia, and sequence analysis revealed high similarity values in BLAST and BOLD databases ranging from 99.2 to 100%, with PCR amplification of the matK marker showing particularly high DNA concentration and specificity for species-level identification. This study supports the genetic exploration and identification of useful ethno-pharmacy plants, V. trifolia. The conclusion of the study shows that two primer pairs of maturase-K (matK) and ribulose bisphosphate carboxylase large subunit (rbcL) genes have been developed from V. trifolia plants. This study supports the genetic exploration and identification of ethnopharmaceutical plants of V. trifolia and the role of bioinformatics tools in molecular studies of medicinal plants.
In Silico Molecular Docking of Flavonoids from Vitex trifolia L. Leaves as Potential Inhibitors of EGFR Double Mutations Yusri, Iskandar; Fawwaz, Muammar; Olii, Audia Triani
Pharmaceutical Reports Vol 5, No 1 (2026): (March) Pharmaceutical Reports
Publisher : Universitas Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33096/pharmrep.v5i1.397

Abstract

The Legundi plant (Vitex trifolia L.) is known to contain flavonoid compounds that exhibit potential anticancer activity through the inhibition of cancer cell growth. This study aimed to evaluate the binding affinity of flavonoid compounds from Vitex trifolia L. leaves against the epidermal growth factor receptor (EGFR) with double mutations (L858R/T790M) using a molecular docking approach. An in silico study was conducted by docking flavonoid compounds with the EGFR protein (PDB ID: 3IKA) using the AutoDock Vina program. A total of 14 flavonoid compounds were analyzed to assess their binding affinity and interaction profiles. The docking results revealed that the compound 2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydro- 4H-chromen-4-one (C18H18O6) exhibited the lowest binding free energy, indicating the strongest affinity toward the target receptor. Furthermore, the interaction analysis showed that this compound formed multiple types of interactions with the EGFR active site, including hydrogen bonds, hydrophobic interactions, van der Waals forces, and ionic interactions. These findings suggest that flavonoid compounds from Vitex trifolia L. have potential as inhibitors of EGFR double mutations and may serve as promising candidates for further development as anticancer agents.