<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "Hubungan Kuantitaf Struktur Aktivitas Dan Penambatan Molekul Senyawa Analog O-Metil Kuersetin Sebagai Inhibitor Epidermal Growth Factor Receptor-Tyrosine Kinase (EGFR-TK)"^^ . "Quantitative Structure-Activity Relationship and Molecular Docking of O�methyl Quercetin Analogues Compounds as EGFR-TK Inhibitor\r\nBina Lohita Sari*, Lusi Agus Setiani, and Shafana Zahra Aulia\r\nDepartment of Pharmacy, Faculty of Mathematics and Natural Sciences, Universitas Pakuan, Bogor, \r\nWest Java, Indonesia.\r\nAbstract: Epidermal Growth Factor Receptor-Tyrosine Kinase (EGFR-TK) is a growth factor \r\nregulating cell proliferation. Cancer arises from the uncontrolled proliferation of cells. Lung cancer \r\nstands as one example among the diverse array of cancer types. O-methyl quercetin analogs can be \r\npotential drug candidate for treating lung cancer. The activity of new compounds can be predicted using \r\na Quantitative Structure-Activity Relationship (QSAR) model. The structures were optimized using the \r\nparameterized method 3 (PM3) and analyzed through multiple linear regression (MLR). Structures of \r\nnew compounds were modified with O-alkylamino and then docked to the EGFR-TK receptor using \r\nmolecular docking. The best QSAR model is expressed as LogIC50 = 23.059 + (7.397 × log P) + (0.273 \r\n× dipole moment) – (0.005 × heat of formation) – (0.733 × ELUMO) – (0.501 × EHOMO) with statistical \r\nparameters: R = 0.966; R2 = 0.933; Fcount/Ftable = 3.830; and Q2 = 0.752. The molecular docking results, \r\nin the form of grid scores for the new compounds (QC6_7 and QC6_8), were superior to quercetin base \r\ndon the validated QSAR model, specifically -77.699 kcal/mol and -79.458 kcal/mol, respectively. Both \r\ncompounds interact with a key residue of the EGFR-TK receptor, Met769, suggesting their potential as \r\ndrugs for lung cancer.\r\nA R T I C L E H I S T O R Y\r\nReceived: \r\nRevised: \r\nAccepted: \r\nDOI: \r\nKeywords: QSAR, Quercetin Analogs, Molecular Docking, EGFR-TK, Lung Cancer"^^ . "2023-05-19" . . . "Universitas Pakuan"^^ . . . "Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Pakuan"^^ . . . . . . . . . . . . . . <> . <> . <> . . "Lusi"^^ . "Agus Setiani"^^ . "Lusi Agus Setiani"^^ . . "Bina"^^ . "Lohita Sari"^^ . "Bina Lohita Sari"^^ . . "Syafana Zahra"^^ . "Aulia"^^ . "Syafana Zahra Aulia"^^ . . "Universitas Pakuan"^^ . . . "Fakultas Matematika dan Ilmu Pengetahuan Alam"^^ . . . "Program Studi Farmasi"^^ . . . . . . . "Hubungan Kuantitaf Struktur Aktivitas Dan Penambatan Molekul Senyawa Analog O-Metil Kuersetin Sebagai Inhibitor Epidermal Growth Factor Receptor-Tyrosine Kinase (EGFR-TK) (Text)"^^ . . . "SKRIPSI_Shafana Zahra Aulia_066118270.pdf"^^ . . "HTML Summary of #7880 \n\nHubungan Kuantitaf Struktur Aktivitas Dan Penambatan Molekul Senyawa Analog O-Metil Kuersetin Sebagai Inhibitor Epidermal Growth Factor Receptor-Tyrosine Kinase (EGFR-TK)\n\n" . "text/html" . . . "Farmasi"@en . .