Sintesis, Aktiviti Antimalaria dan Pendekatan Dinamik Molekul Kompleks Logam Salofen Article Swipe

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Amatul Hamizah Ali , Nur Hafizah Mukhtar , Yee Ling Ng , Nur Aqilah Zahirah Norazmi , Hani Kartini Agustar , Yee Ling Lau , Nurul Huda Abd Karim , Siti Fairus M. Yusoff , Mostafa Yousefzadeh Borzehandani , Nurul Izzaty Hassan ·

YOU? · · 2024 · Open Access · · DOI: https://doi.org/10.17576/jsm-2024-5308-14

Malaria masih merupakan salah satu penyakit berjangkit yang utama di kawasan beriklim tropika. Pelbagai ubat antimalaria telah diperkenalkan sebelum ini seperti klorokuina, primakuina dan artemisinin. Namun, keberkesanan ubat antimalaria menjadi rumit disebabkan oleh penyebaran parasit Plasmodium yang ada kerintangan terhadap ubat sedia ada. Oleh demikian, penerokaan kompleks logam salofen berasaskan ligan bes Schiff yang berpotensi sebagai agen antimalaria dijalankan. Empat ligan berasaskan salofen a-d dan lapan kompleks logam salofen 1a-4a dan 1b-4b telah disintesis melalui tindak balas kondensasi bes Schiff. Aktiviti antimalaria sebatian ini telah diuji dengan asai Plasmodium laktat dehidrogenase terhadap Plasmodium falciparum 3D7 yang menunjukkan bahawa 1a, 3a dan 4b masing-masing (IC50 = 14.74, 19.38 dan 12.13 µM) mempunyai kesan perencatan aktif terhadap parasit secara in vitro. Analisis dok molekul mendedahkan bahawa sebatian 1a, 3a dan 4b menunjukkan nilai pengikatan yang baik pada protein PfDHFR-TS iaitu nilai masing-masing adalah -9.7, -8.9 dan -9.5 kcal. mol-1. Tambahan pula, simulasi dinamik molekul mendedahkan bahawa sebatian 1a dan 3a ditempatkan di dalam poket reseptor protein dengan sebatian dikelilingi oleh beberapa permukaan berpolar. Bagaimanapun, sebatian 4b membentuk sistem kompleks reseptor-ligan dengan konformasi yang paling stabil apabila kompleks diletakkan di dalam poket reseptor hidrofobik. Oleh itu, PfDHFR-TS dianggap sebagai sasaran protein parasit yang khusus untuk kompleks logam salofen. Kesimpulannya, kompleks logam salofen didapati mempunyai potensi tinggi untuk dibangunkan sebagai agen antimalaria dan mampu menjadi struktur templat kepada pembentukan ubat antimalaria bagi melawan kes kerintangan.

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Title: Sintesis, Aktiviti Antimalaria dan Pendekatan Dinamik Molekul Kompleks Logam Salofen

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Authors: Amatul Hamizah Ali, Nur Hafizah Mukhtar, Yee Ling Ng, Nur Aqilah Zahirah Norazmi, Hani Kartini Agustar, Yee Ling Lau, Nurul Huda Abd Karim, Siti Fairus M. Yusoff, Mostafa Yousefzadeh Borzehandani, Nurul Izzaty Hassan

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Landing page: https://doi.org/10.17576/jsm-2024-5308-14

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