{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,26]],"date-time":"2026-08-26T20:32:51Z","timestamp":1787776371755,"version":"build-2784847793"},"reference-count":38,"publisher":"Ovid Technologies (Wolters Kluwer Health)","issue":"3","license":[{"start":{"date-parts":[[2024,10,5]],"date-time":"2024-10-05T00:00:00Z","timestamp":1728086400000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-sa\/4.0"}],"content-domain":{"domain":["lww.com","ovid.com"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2025,7]]},"abstract":"<jats:sec>\n                    <jats:title>Background &amp; objectives:<\/jats:title>\n                    <jats:p>\n                      Quantum chemical and molecular docking practices deliver new perceptions into how etoposide, novobiocin, nogalamycin and netropsin interact with the biological targets PF3D7_0918600 (\n                      <jats:italic toggle=\"yes\">Plasmodium falciparum<\/jats:italic>\n                      3D7). Further, pharmacokinetics of a drug candidate which is influenced by a variety of factors, including P-glycoprotein (Pgp) transport, PBB (Plasma protein binding), and BBB (Blood-brain barrier) permeation, help to forecast the pharmacological characteristics of acetyl-CoA reductase inhibitors (ADMEs) and their metabolites.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Methods:<\/jats:title>\n                    <jats:p>\n                      We have elevated four compounds, etoposide, novobiocin, nogalamycin and netropsin. We have studied molecular docking against target protein of\n                      <jats:italic toggle=\"yes\">Plasmodium falciparum<\/jats:italic>\n                      (PF3D7_0918600) through AutoDock Vina platform and AutoDock-Tools (ADT) and pharmacokinetic properties were carried out using ADMET 2.0.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results:<\/jats:title>\n                    <jats:p>\n                      The relative results of molecular docking recommended a greater binding affinity of novobiocin with the selected receptors among other compounds.\n                      <jats:italic toggle=\"yes\">In silico<\/jats:italic>\n                      ADME screening is a computational approach utilised to forecast the pharmacological characteristics of acetyl-CoA reductase inhibitors (ADMEs) and their metabolites.\n                    <\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Interpretation &amp; conclusion:<\/jats:title>\n                    <jats:p>\n                      The ADMEs are based on adsorption-desorption kinetics and pharmacopoeia. Adsorption and distribution analysis is used to assess the potential of a drug candidate.\n                      <jats:italic toggle=\"yes\">In vitro<\/jats:italic>\n                      ADME is exploited to expect the effect of Pgp transport on the drug candidates. ADME has been used to predict CYP1A2 inhibitors and to predict PPB and BBB penetration. This work summarizes the current knowledge on molecular docking, ADME and identifies potential drug candidates for ADME\n                      <jats:italic toggle=\"yes\">in vitro<\/jats:italic>\n                      and\n                      <jats:italic toggle=\"yes\">in vivo<\/jats:italic>\n                      .\n                    <\/jats:p>\n                  <\/jats:sec>","DOI":"10.4103\/jvbd.jvbd_65_24","type":"journal-article","created":{"date-parts":[[2024,10,7]],"date-time":"2024-10-07T08:00:30Z","timestamp":1728288030000},"page":"295-302","update-policy":"https:\/\/doi.org\/10.1097\/lww.0000000000001000","source":"Crossref","is-referenced-by-count":0,"title":["Intercalating compounds alongside DNA helicase Q1 Plasmodium falciparum 3D7: Assessments of pharmacokinetic properties prediction of ADME"],"prefix":"10.4103","volume":"62","author":[{"given":"Afnan","family":"Shakoori","sequence":"first","affiliation":[{"name":"Department of Clinical Laboratory Sciences, Faculty of Applied Medical Sciences, Umm Al-Qura University, Makkah, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zain","family":"Alhindi","sequence":"additional","affiliation":[{"name":"Department of Clinical Laboratory Sciences, Faculty of Applied Medical Sciences, Umm Al-Qura University, Makkah, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammad","family":"Alobaidy","sequence":"additional","affiliation":[{"name":"Department of Anatomy, Faculty of Medicine, Umm Al-Qura University, Makkah, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amna","family":"Moulana","sequence":"additional","affiliation":[{"name":"Department of Anatomic Pathology, Maternity and Child Hospital, Makkah, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ayman","family":"Qashgari","sequence":"additional","affiliation":[{"name":"Department of Anatomic Pathology, Maternity and Child Hospital, 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