{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,12]],"date-time":"2025-12-12T11:31:36Z","timestamp":1765539096525,"version":"3.48.0"},"reference-count":22,"publisher":"Walter de Gruyter GmbH","issue":"4","funder":[{"name":"Ministry of Education and Culture","award":["722\/UN3.14\/PT\/2020"],"award-info":[{"award-number":["722\/UN3.14\/PT\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2021,6,25]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:sec id=\"j_jbcpp-2020-0425_abs_001\">\n                    <jats:title>Objectives<\/jats:title>\n                    <jats:p>\n                      Histamine\n                      <jats:italic>N<\/jats:italic>\n                      -methyltransferase (HNMT) is an enzyme that plays a crucial role in the inactivation of histamine in central nervous system, kidneys and bronchi. Inhibition of HNMT is known to have a potential role in treating attention-deficit hyperactivity disorder, memory impairment, mental illness and neurodegenerative illnesses. Therefore, to find potential compounds that could be developed as novel HNMT inhibitors, this study conducted an\n                      <jats:italic>in silico<\/jats:italic>\n                      study of the secondary metabolites of\n                      <jats:italic>Nigella sativa<\/jats:italic>\n                      L and\n                      <jats:italic>Curcuma xanthorrhiza Roxb<\/jats:italic>\n                      .\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"j_jbcpp-2020-0425_abs_002\">\n                    <jats:title>Methods<\/jats:title>\n                    <jats:p>\n                      In this study, we conducted a molecular docking study of 36 secondary metabolites of\n                      <jats:italic>N.\u00a0sativa<\/jats:italic>\n                      L and 26 secondary metabolites of\n                      <jats:italic>C.\u00a0xanthorrhiza Roxb<\/jats:italic>\n                      using an\n                      <jats:italic>in silico<\/jats:italic>\n                      approach targeting HNMT protein (PDB ID: 2AOT) using AutoDockVina software. The prediction of ADMET characteristics was done using the pkCSM Online Tool.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"j_jbcpp-2020-0425_abs_003\">\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>\n                      This study obtained one metabolite from\n                      <jats:italic>N.\u00a0sativa<\/jats:italic>\n                      L (longifolene) and seven metabolites from\n                      <jats:italic>C.\u00a0xanthorrhiza Roxb<\/jats:italic>\n                      {(+)-beta-atlantone, humulene epoxide, (\u2212)-beta-curcumene, (E)-caryophyllene, germacrone, (R)-(\u2212)-xanthorrhizol, and (\u2212)-beta-caryophyllene epoxide} which were predicted to have potential to be developed as HNMT inhibitors.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec id=\"j_jbcpp-2020-0425_abs_004\">\n                    <jats:title>Conclusions<\/jats:title>\n                    <jats:p>\n                      This study found several secondary metabolites of\n                      <jats:italic>N.\u00a0sativa<\/jats:italic>\n                      L and\n                      <jats:italic>C.\u00a0xanthorrhiza Roxb<\/jats:italic>\n                      which had activity as HNMT inhibitors. This research can likewise be utilized as a basis for further research, both\n                      <jats:italic>in vitro<\/jats:italic>\n                      ,\n                      <jats:italic>in vivo<\/jats:italic>\n                      , and clinical trials related to the development of secondary metabolites from\n                      <jats:italic>N.\u00a0sativa<\/jats:italic>\n                      L and\n                      <jats:italic>C.\u00a0xanthorrhiza Roxb<\/jats:italic>\n                      as novel HNMT inhibitor compounds.\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.1515\/jbcpp-2020-0425","type":"journal-article","created":{"date-parts":[[2021,7,2]],"date-time":"2021-07-02T12:45:59Z","timestamp":1625229959000},"page":"795-802","source":"Crossref","is-referenced-by-count":7,"title":["Molecular docking studies of\n                    <i>Nigella sativa<\/i>\n                    L and\n                    <i>Curcuma xanthorrhiza Roxb<\/i>\n                    secondary metabolites against histamine\n                    <i>N<\/i>\n                    -methyltransferase with their ADMET prediction"],"prefix":"10.1515","volume":"32","author":[{"given":"Ahmad Dzulfikri","family":"Nurhan","sequence":"first","affiliation":[{"name":"Department of Clinical Pharmacy, Faculty of Pharmacy, Airlangga University , Surabaya , Indonesia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maria Apriliani","family":"Gani","sequence":"additional","affiliation":[{"name":"Department of Clinical Pharmacy, Faculty of Pharmacy, Airlangga University , Surabaya , Indonesia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Aniek Setiya","family":"Budiatin","sequence":"additional","affiliation":[{"name":"Department of Clinical Pharmacy, Faculty of Pharmacy, Airlangga University , Surabaya , Indonesia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Siswandono","family":"Siswodihardjo","sequence":"additional","affiliation":[{"name":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Airlangga University , Surabaya , Indonesia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Junaidi","family":"Khotib","sequence":"additional","affiliation":[{"name":"Department of Clinical Pharmacy, Faculty of Pharmacy, Airlangga University , Surabaya , Indonesia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"374","published-online":{"date-parts":[[2021,6,25]]},"reference":[{"key":"2025121209024962558_j_jbcpp-2020-0425_ref_001","doi-asserted-by":"crossref","unstructured":"Huang, H, Li, Y, Liang, J, Finkelman, FD. 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