Quantitative Structure-Activity Relationship (Qsar) of N-Benzoyl-N'-Phenylthiourea Compound and Derivatives in McF-7 Cancer Cells

Kesuma, Dini; Santosa, Harry; Nasyanka, Anindi Lupita; Ruswanto, Ruswanto

doi:10.31788/rjc.2021.1446357

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Penentuan Sifat Kimia Dan Fisika Senyawa Turunan1

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2022

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“…Pada tabel 1. Semua senyawa masih masuk dalam rentang lipinski rule yakni memiliki log P ≥ 5, sehingga memenuhi syarat untuk menjadi calon obat baru yang akan dikembangkan [10,11].…”

Section: Penentuan Sifat Kimia Dan Fisika Senyawa Turunanunclassified

Studi in silico : Hubungan Kuantitatif Struktur-Aktivitas Antivirus SARS-COV2 Pada Senyawa Turunan N-4-benzoil-N’-(4-fluorofenil) tiourea

Lupita Nasyanka,

Ratnasari,

Na’imah

et al. 2022

JSSCR

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Specific therapies for the SARS-CoV2 virus are still being developed in several countries countries in the world. One of the suspected molecular targets specific to SARS COV2 is the 3CLpro or main protease of the COVID-19 virus. Based on the target of this work, there are similarities between the compounds N-4-benzoyl-N'-(4-fluorophenyl)thiourea derivatives with their inhibitors. This study aims to develop derivative compounds N-4-benzoyl-N'-(4-fluorophenyl)thiourea as a potential drug candidate inhibiting SARS-CoV2 viral protein using the HKSA method in silicon. Based on the results of the analysis, the best equation for the development of anti-virus SARS-CoV2 was Log 1/C = 0.269 Log P2 – 2.776 Log P + 0.221 cMR +3.195 (n= 8; R = 0.949 S= 0.11399; F=12,119;Sig=0,018). The role of the lipophilic and -containing groups steric can increase its activity as an anti-virus SARS-CoV2 In silico on the modification of the derivative.

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“…Pada tabel 1. Semua senyawa masih masuk dalam rentang lipinski rule yakni memiliki log P ≥ 5, sehingga memenuhi syarat untuk menjadi calon obat baru yang akan dikembangkan [10,11].…”

Section: Penentuan Sifat Kimia Dan Fisika Senyawa Turunanunclassified

Studi in silico : Hubungan Kuantitatif Struktur-Aktivitas Antivirus SARS-COV2 Pada Senyawa Turunan N-4-benzoil-N’-(4-fluorofenil) tiourea

Lupita Nasyanka,

Ratnasari,

Na’imah

et al. 2022

JSSCR

View full text Add to dashboard Cite

show abstract

Quantitative Structure-Activity Relationship (Qsar) of N-Benzoyl-N'-Phenylthiourea Compound and Derivatives in McF-7 Cancer Cells

Cited by 1 publication

References 0 publications

Studi in silico : Hubungan Kuantitatif Struktur-Aktivitas Antivirus SARS-COV2 Pada Senyawa Turunan N-4-benzoil-N’-(4-fluorofenil) tiourea

Studi in silico : Hubungan Kuantitatif Struktur-Aktivitas Antivirus SARS-COV2 Pada Senyawa Turunan N-4-benzoil-N’-(4-fluorofenil) tiourea

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