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Journal : Borneo Journal of Pharmacy

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.
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.