Author(s):
Anita Dwi Puspitasari, Dewi Andini Kunti Mulangsri, Faris Hermawan, Lala Adetia Marlina, Ervan Yudha, Adi Tiara Zikri, Rissa Laila Vifta
Email(s):
anita@unwahas.ac.id
DOI:
10.52711/0974-360X.2026.00156 
Address:
Anita Dwi Puspitasari1*, Dewi Andini Kunti Mulangsri1, Faris Hermawan2, Lala Adetia Marlina3, Ervan Yudha4, Adi Tiara Zikri5, Rissa Laila Vifta6,7
1Faculty of Pharmacy, Universitas Wahid Hasyim, Semarang 50236, Indonesia.
2Research Center for Pharmaceutical Ingredient and Traditional Medicine, National Research and Innovation Agency (BRIN), Serpong, Tangerang Selatan 15354, Banten, Indonesia.
3Research Center for Computing, National Research and Innovation Agency (BRIN), Cibinong, Bogor 16911, Indonesia.
4Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia.
5Department of Materials Science and Engineering, Chonnam National University, Republic of Korea.
6Faculty of Pharmacy, Universitas Islam Sultan Agung, Semarang 50112, Indonesia.
7Doctoral Program of Chemistry, Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Padjadjaran, Sumedang 45363, Indonesia.
*Corresponding A
Published In:
Volume - 19,
Issue - 3,
Year - 2026
ABSTRACT:
Six chalcone derivatives C1-C6 were docked, simulated, synthesized, and tested for potential antibacterial activity. The docking results exhibited that all chalcones had lower binding energy than Piperacillin (-1.06 kcal/mol) in a range of -4.44 to -4.98 kcal/mol. Those compounds have similar hydrogen bond interactions with Piperacillin in the amino acids residue of Asn464. Compounds C3, C4, and C6 following the molecular dynamics simulation demonstrated greater stability than Piperacillin during the 50 ns simulation time. The synthesis of chalcones C3, C4, and C6 compounds has been successfully carried out through Claisen-Schmidt condensation and the products yield 91.2%, 93.6%, and 94.7%, respectively. Subsequently, based on the inhibition test, compound C6 exhibited higher antibacterial activity against MRSA than compounds C3 and C4. Compound C6 inhibited at 2 and 4% concentrations, with inhibition diameters of 15.4±0.3 and 17.4±0.23 mm, respectively. In conclusion, compound C6 demonstrated moderate antibacterial activity toward MRSA bacteria.
Cite this article:
Anita Dwi Puspitasari, Dewi Andini Kunti Mulangsri, Faris Hermawan, Lala Adetia Marlina, Ervan Yudha, Adi Tiara Zikri, Rissa Laila Vifta. In Silico Study, Synthesis and In vitro MRSA Assay of Chalcone Substituted Chloro. Research Journal Pharmacy and Technology. 2026;19(3):1102-8. doi: 10.52711/0974-360X.2026.00156
Cite(Electronic):
Anita Dwi Puspitasari, Dewi Andini Kunti Mulangsri, Faris Hermawan, Lala Adetia Marlina, Ervan Yudha, Adi Tiara Zikri, Rissa Laila Vifta. In Silico Study, Synthesis and In vitro MRSA Assay of Chalcone Substituted Chloro. Research Journal Pharmacy and Technology. 2026;19(3):1102-8. doi: 10.52711/0974-360X.2026.00156 Available on: https://www.rjptonline.org/AbstractView.aspx?PID=2026-19-3-17
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