Perkembangan Terkini dalam Desain Obat Berbasis Kimia Medisinal

https://doi.org/10.35912/jimi.v4i1.4558
Published: Sep 28, 2024

Abstract:

Purpose: This study aims to describe recent approaches and innovations in drug design rooted in medicinal chemistry, with particular emphasis on the contributions of computational methods and the exploration of natural compounds in the development of new drug candidates.

Methodology/Approach: This literature review synthesizes current research on in silico techniques such as molecular docking, QSAR (Quantitative Structure–Activity Relationship), and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) prediction. It also examines the integration of natural product screening, synthetic compound optimization, and interdisciplinary approaches involving bioinformatics and pharmacogenomics.

Results/Findings: Computational approaches have proven effective in reducing time and costs during the early phases of drug discovery. Natural products provide structurally diverse scaffolds with promising biological activities, particularly in the development of anticancer agents. The combination of medicinal chemistry with interdisciplinary fields enhances mechanistic understanding and supports the rational design of novel therapeutics.

Conclusions: The convergence of computational innovation and interdisciplinary research significantly enhances the efficiency, precision, and scope of modern drug design, paving the way for more personalized and targeted therapies.

Limitations: This study is based solely on secondary data from published literature and does not include empirical validation through laboratory experiments.

Contribution: This review offers a comprehensive overview of emerging trends in medicinal chemistry and serves as a valuable reference for researchers, pharmaceutical scientists, and interdisciplinary teams seeking to advance drug discovery efforts.

Keywords:
1. Anticancer
2. Drug Design
3. Medicinal Chemistry
4. Molecular Docking
Authors:
1 . Saeful Amin
2 . Popih Heryanto
3 . Rahil Athaya
4 . Nabila Ainul Fitri
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How to Cite
Amin, S. ., Heryanto, P. ., Athaya, R., & Fitri, N. A. . (2024). Perkembangan Terkini dalam Desain Obat Berbasis Kimia Medisinal. Jurnal Ilmu Medis Indonesia, 4(1), 93–100. https://doi.org/10.35912/jimi.v4i1.4558
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Vol. 4 No. 1 (2024): September
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References

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    Rashdan, H. R. M., Abdelmonsef, A. H., Abou-Krisha, M. M., & Yousef, T. A. (2021). Synthesis, identification, computer-aided docking studies, and admet prediction of novel benzimidazo-1,2,3-triazole based molecules as potential antimicrobial agents. Molecules, 26(23), 1–13. https://doi.org/10.3390/molecules26237119

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    Quintieri, L., Caputo, L., & Nicolotti, O. (2024). Recent Advances in the Discovery of Novel Drugs on Natural Molecules. Biomedicines, 12(6), 1254. doi:https://doi.org/10.3390/biomedicines12061254

    Utami, D., Syahputra, R., & Widyaningsih, W. (2022). Studi Docking Molekular Aktivitas Panghambatan Enzim Tirosinase Ubi Jalar (Ipomoea batatas L. Lam). Pharmacon: Jurnal Farmasi Indonesia, 19(1), 21–34. https://doi.org/10.23917/pharmacon.v19i1.18295

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  1. Aarjane, M., Aouidate, A., Slassi, S., & Amine, A. (2020). Synthesis, antibacterial evaluation, in silico ADMET and molecular docking studies of new N-acylhydrazone derivatives from acridone. Arabian Journal of Chemistry, 13(7), 6236–6245. https://doi.org/10.1016/j.arabjc.2020.05.034
  2. Affengruber, L., Dobrescu, A., Persad, E., Klerings, I., Wagner, G., Sommer, I., & Gartlehner, G. (2022). Characteristics and recovery methods of studies falsely excluded during literature screening—a systematic review. Systematic Reviews, 11(1), 236. doi:https://doi.org/10.1186/s13643-022-02109-w
  3. Agus, A. S. R., Purnaningtyas, S. R. D., Wahidin, Sari, D. R. T., Ischak, N. I., Gianti, L., & Cahyanto, H. N. (2023). Kimia Medisinal.
  4. Amin, S., Pratama, D. E., Medisinal, K., & Obat, P. (2025). Peran Kimia Medisinal Dalam Pengembangan Obat Antikanker?: Pendekatan Komputasi Dan Eksplorasi Senyawa Bioaktif Dari Sumber. 1(6), 1356–1361.
  5. Amin, S., Azijah, R. N., & Gunawan, F. R. (2024). Eksplorasi Senyawa Alami sebagai Lead Antikanker Payudara dengan Pendekatan In Silico. Jurnal Ilmu Medis Indonesia, 4(1), 63-74. doi:10.35912/jimi.v4i1.4560
  6. Amin, S., Hurry, Z. A. Z., Sumantri, T. A., & Fauzi, R. A. (2024). Studi Komputasional Senyawa Flavonoid Tanaman Obat sebagai Kandidat Agen Antidiabetik. Jurnal Ilmu Medis Indonesia, 4(1), 21-40. doi:10.35912/jimi.v4i1.4553
  7. Amin, S., Mustafidah, S., Nabila, N. S., & Maharani, C. (2024). Review Artikel: Pendekatan in Silico dalam Kimia Medisinal tentang Resistensi Antibiotik. Jurnal Ilmu Medis Indonesia, 4(1), 83-91. doi:10.35912/jimi.v4i1.4561
  8. Amin, S., Pujiyani, D., Rusiyana, N. P., & Azzahra, S. M. (2024). Evaluasi Potensi Antikanker Senyawa Daun Kelor melalui Kimia Medisinal. Jurnal Ilmu Medis Indonesia, 4(1), 75-82. doi:10.35912/jimi.v4i1.4544
  9. Amin, S., Supriatna, G. T., Ardian, M. I., & Abdurrahman, M. I. (2024). Potensi Senyawa Turunan Terpenoid sebagai Agen Anti-Kanker. Jurnal Ilmu Medis Indonesia, 4(1), 53-61. doi:10.35912/jimi.v4i1.4551
  10. Asiva Noor Rachmayani. (2015). No ????????????????????? ?????????????????Title. 6.
  11. Asmara, A. P., Nasution, R. S., & Minarty, R. (2020). QSAR Modeling of Compounds Derived from 1,2,3-Triazolopiperidine as DPP-4 Enzyme Inhibitors Using Semiempirical AM1. JKPK (Jurnal Kimia dan Pendidikan Kimia), 5(1), 70. https://doi.org/10.20961/jkpk.v5i1.28358
  12. Choudhuri, S., Yendluri, M., Poddar, S., Li, A., Mallick, K., Mallik, S., & Ghosh, B. (2023). Recent advancements in computational drug design algorithms through machine learning and optimization. Kinases and Phosphatases, 1(2), 117-140. doi:https://doi.org/10.3390/kinasesphosphatases1020008
  13. Findrayani, R. P., Isrul, M., & Lolok, N. (2024). Studi Molecular Docking Senyawa Kimia dari Herba Putri Malu (Mimosa pudica) Terhadap Inhibisi Enzim A-Glukosidase Sebagai Antidiabetes Melitus. Jurnal Pharmacia Mandala Waluya, 3(4), 225–233.
  14. Hadanu, R., & Sitorus, M. (2024). Modeling of Benzimidazole Derivatives as Antimalarial Agents using QSAR Analysis. Makara Journal of Science, 28(3), 264–275. https://doi.org/10.7454/mss.v28i3.2238
  15. Hardjono, S. (2018). Peran Kimia Medisinal Dalam Pengembangan Obat Antikanker. 1(6), 1–40.
  16. Izzaturahmi, A. S., Pauziah, A. S. U., Virliana, A., Sitinjak, G. M. L., Ramadhiany, Z. Z., Elaine, A. A., Sitinjak, B. D. P., & Aulifa, D. L. (2023). Indonesian Journal of Biological Pharmacy In Silico Study of Licorice (Glycyrrhiza glabra L.) on VEGFR-2 Receptors in Breast Cancer. Indonesian Journal of Biological Pharmacy, 3(3), 137–153.
  17. Kadan, A., Ryczko, K., Lloyd, E., Roitberg, A., & Yamazaki, T. (2024). Guided Multi-objective Generative AI to Enhance Structure-based Drug Design. arXiv preprint arXiv:2405.11785. doi:https://doi.org/10.48550/arXiv.2405.11785
  18. Lestari, S., Gultom, B., Naziha, M., & Efendi, S. (2025). Kimia Organik dan Industri Farmasi Pengembangan Obat Berbasis. 9, 2426–2430.
  19. Maziyuna, F. A., Kumar, A., & Kumar, P. (2022). Synthesis, docking studies, ADMET prediction, and antimicrobial evaluation of coumarin-oxadiazole hybrids. 46(5).
  20. Mishra, K. N., Rashmi, M., & Upadhyay, H. C. (2024). Coumarin-1,2,3-Triazole Hybrids as Promising Antibacterial Agents: In silico Molecular Docking, ADMET and Molecular Dynamics Simulation Studies (Exploring in silico Antibacterial Potential of Coumarin-1,2,3-triazoles). Indian Journal of Pharmaceutical Education and Research, 58(4), 1242–1254. https://doi.org/10.5530/ijper.58.4.137
  21. Ramírez, D., Peláez, R., Lagos, C. F., & Medina-Franco, J. L. (2024). Editorial: Pharmacoinformatics: new developments and challenges in drug design. Frontiers in Pharmacology, 15(July), 1–2. https://doi.org/10.3389/fphar.2024.1462070
  22. Rashdan, H. R. M., Abdelmonsef, A. H., Abou-Krisha, M. M., & Yousef, T. A. (2021). Synthesis, identification, computer-aided docking studies, and admet prediction of novel benzimidazo-1,2,3-triazole based molecules as potential antimicrobial agents. Molecules, 26(23), 1–13. https://doi.org/10.3390/molecules26237119
  23. Siswandono. (2004). Peran Kimia Medisinal Dalam Pengembangan Dan Penemuan Obat Baru. Peran Kimia Medisinal Dalam Pengembangan Dan Penemuan Obat Baru, 3(3), 10–11.
  24. Quintieri, L., Caputo, L., & Nicolotti, O. (2024). Recent Advances in the Discovery of Novel Drugs on Natural Molecules. Biomedicines, 12(6), 1254. doi:https://doi.org/10.3390/biomedicines12061254
  25. Utami, D., Syahputra, R., & Widyaningsih, W. (2022). Studi Docking Molekular Aktivitas Panghambatan Enzim Tirosinase Ubi Jalar (Ipomoea batatas L. Lam). Pharmacon: Jurnal Farmasi Indonesia, 19(1), 21–34. https://doi.org/10.23917/pharmacon.v19i1.18295
  26. Vallance, P. (n.d.). Drug discovery. 7.
  27. Wang, K., Huang, Y., Wang, Y., You, Q., & Wang, L. (2024). Recent advances from computer-aided drug design to artificial intelligence drug design. RSC Medicinal Chemistry, 15(12), 3978-4000. doi:https://doi.org/10.1039/D4MD00522H

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