{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,4]],"date-time":"2026-02-04T19:36:06Z","timestamp":1770233766484,"version":"3.49.0"},"reference-count":45,"publisher":"Walter de Gruyter GmbH","issue":"6","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2019,11,26]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:sec id=\"j_jbcpp-2019-0301_s_999_w2aab3b8d119b1b7b1aab1c15b1Aa\">\n                    <jats:title>Background<\/jats:title>\n                    <jats:p>\n                      Previous studies have shown that 5-\n                      <jats:italic>O<\/jats:italic>\n                      -benzoylpinostrobin derivatives is a potential anti-breast cancer, with the highest potential being the HER2 inhibitors, is a protein\u2019s member of the epidermal growth factor receptor (EGFR) family. Overexpression of EGFR itself is known to be one of the causes of other cancer, including non-small cell lung cancer (NSCLC). Thus, it is possible that 5-\n                      <jats:italic>O<\/jats:italic>\n                      -benzoylpinostrobin derivatives can also inhibit the overexpression of EGFR in NSCLC. In the case of NSCLC, mutations of EGFR are often found in several amino acids, such as L858R, T790M, and V948R. This study aimed to determine the potential of 5-O-benzoylpinostrobin derivatives as an inhibitor of wild type and L858R\/T790M\/V948R-mutant EGFR.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"j_jbcpp-2019-0301_s_998_w2aab3b8d119b1b7b1aab1c15b2Aa\">\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>Docking was performed using AutoDock Vina 1.1.2 on both wild type and L858R\/T790M\/V948R-mutant EGFR. Parameters observed, consisted of free energy of binding (\u0394G) and amino acid interactions of each ligand.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"j_jbcpp-2019-0301_s_997_w2aab3b8d119b1b7b1aab1c15b3Aa\">\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>\n                      Docking results showed that all 5-\n                      <jats:italic>O<\/jats:italic>\n                      -benzoylpinostrobin derivatives showed a lower \u0394G for both wild type and L858R\/T790M\/V948R-mutant EGFR, with the lowest \u0394G shown by 4-methyl-5-\n                      <jats:italic>O<\/jats:italic>\n                      -benzoylpinostrobin and 4-trifluoromethyl-5-\n                      <jats:italic>O<\/jats:italic>\n                      -benzoylpinostrobin. Both the ligands have the similarity of interacting amino acids compared to reference ligands between 76.47 and 88.24%. Specifically, the \u0394G of all test ligands was lower in mutant EGFR than in the wild type, which indicates the potential of the ligand as EGFR inhibitors where a mutation to EGFR occurs.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"j_jbcpp-2019-0301_s_996_w2aab3b8d119b1b7b1aab1c15b4Aa\">\n                    <jats:title>Conclusions<\/jats:title>\n                    <jats:p>\n                      These results confirm that 5-\n                      <jats:italic>O<\/jats:italic>\n                      -benzoylpinostrobin derivatives have the potential to inhibit EGFR in both wild type and L858R\/T790M\/V948R-mutant.\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.1515\/jbcpp-2019-0301","type":"journal-article","created":{"date-parts":[[2019,12,19]],"date-time":"2019-12-19T04:34:31Z","timestamp":1576730071000},"source":"Crossref","is-referenced-by-count":12,"title":["Molecular docking of novel 5-\n                    <i>O<\/i>\n                    -benzoylpinostrobin derivatives as wild type and L858R\/T790M\/V948R mutant EGFR inhibitor"],"prefix":"10.1515","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0727-4392","authenticated-orcid":false,"given":"Mohammad Rizki Fadhil","family":"Pratama","sequence":"first","affiliation":[{"name":"Universitas Airlangga, Doctoral Program of Pharmaceutical Science, Faculty of Pharmacy , Kampus C UNAIR Jl Dr Ir H Soekarno Mulyorejo Surabaya, East Java , Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9241-9161","authenticated-orcid":false,"given":"Hadi","family":"Poerwono","sequence":"additional","affiliation":[{"name":"Universitas Airlangga, Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Kampus C UNAIR Jl Dr Ir H Soekarno Mulyorejo Surabaya, East Java , Indonesia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9579-8929","authenticated-orcid":false,"given":"Siswandono","family":"Siswodihardjo","sequence":"additional","affiliation":[{"name":"Universitas Airlangga, Department of Pharmaceutical Chemistry, Faculty of Pharmacy , Kampus C UNAIR Jl Dr Ir H Soekarno Mulyorejo Surabaya, East Java , Indonesia"}]}],"member":"374","published-online":{"date-parts":[[2019,12,19]]},"reference":[{"key":"2025121209201345144_j_jbcpp-2019-0301_ref_001_w2aab3b8d119b1b7b1ab2b2b1Aa","doi-asserted-by":"crossref","unstructured":"De Groot PM, Wu CC, Carter BW, Munden RF. 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