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IDENTIFIKASI SENYAWA CARVEOL DALAM EKSTRAK ETANOL DAUN SIRIH HIJAU (Pipper betle L.) MENGGUNAKAN GC-MS DAN KAJIAN POTENSINYA TERHADAP PROTEIN EGFR DAN PROTEIN PD-L1 SEBAGAI KANDIDAT ANTIKANKER PARU-PARU MELALUI PENDEKATAN BIOINFORMATIKA
Lung cancer ranks as the leading cause of cancer-related deaths worldwide. Lung cancer treatment includes surgery, radiation therapy, chemotherapy, immunotherapy, and targeted therapy, but these methods are often accompanied by significant side effects. Therefore, safer alternative treatments are needed. Betel leaves (Piper betle) are known to contain carveol compounds that have potential as anticancer agents. The identification of compounds in betel leaves was carried out using GC-MS methods, followed by molecular docking using SwissDock against lung cancer target proteins and pharmacokinetic (ADME) prediction using SwissADME. The docking results showed binding affinity values of -5.6 kcal/mol for the EFGR target protein and -7.5 kcal/mol for the PD-L1 protein. Cis-dihydrocarveol was able to interact with the EFGR protein at the Met793 residue through hydrogen bonds and hydrophobic interactions with the Val726, Ala743, Lys745, and Leu844 residues, as well as interact with the PD-L1 protein at the Pro133, Asn135, and Lys136 residues through hydrogen bonds and hydrophobic interactions at the Lys136 residue. ADME prediction shows a good pharmacokinetic profile. However, this compound can penetrate the BBB, so further testing is needed regarding its potential toxicity.
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IDENTIFIKASI SENYAWA CARVEOL DALAM EKSTRAK ETANOL DAUN SIRIH HIJAU (Pipper betle L.) MENGGUNAKAN GC-MS DAN KAJIAN POTENSINYA TERHADAP PROTEIN EGFR DAN PROTEIN PD-L1 SEBAGAI KANDIDAT ANTIKANKER PARU-PARU MELALUI PENDEKATAN BIOINFORMATIKA (Text)
IDENTIFIKASI SENYAWA CARVEOL DALAM EKSTRAK ETANOL DAUN SIRIH HIJAU (Pipper betle L.) MENGGUNAKAN GC-MS DAN KAJIAN POTENSINYA TERHADAP PROTEIN EGFR DAN PROTEIN PD-L1 SEBAGAI KANDIDAT ANTIKANKER PARU-PARU MELALUI PENDEKATAN BIOINFORMATIKA (Other)
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