{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T15:28:10Z","timestamp":1791214090165,"version":"4.1.0"},"reference-count":63,"publisher":"Wiley","issue":"12","license":[{"start":{"date-parts":[[2025,9,11]],"date-time":"2025-09-11T00:00:00Z","timestamp":1757548800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"},{"start":{"date-parts":[[2025,9,11]],"date-time":"2025-09-11T00:00:00Z","timestamp":1757548800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry &amp;amp; Biodiversity"],"published-print":{"date-parts":[[2025,12]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    This study evaluated 20 flavonoids\/biflavonoids from\n                    <jats:italic>Cycas<\/jats:italic>\n                    as potential inhibitors of human placental aromatase (Protein Data Bank PDB ID: 3S79), a key enzyme in estrogen receptor (ER)\u2010positive breast cancer. Using molecular docking, absorption, distribution, metabolism, and excretion (ADME) analysis, molecular dynamics (MD) simulations (100\u00a0ns, GROMACS 2020), molecular mechanics\/Poisson\u2013Boltzmann surface area (MM\u2013PBSA), and density functional theory (DFT) studies, biflavonoids\n                    <jats:bold>13, 14,<\/jats:bold>\n                    and\n                    <jats:bold>16<\/jats:bold>\n                    exhibited stronger binding at active and preferred binding sites than flavonoids, forming stable interactions with favorable binding energies. ADME results indicated good pharmacokinetic profiles. MM\u2010PBSA free energies were \u2212275.84\u00a0\u00b1\u00a020.40, \u2212245.87\u00a0\u00b1\u00a013.60, and \u2212172.30\u00a0\u00b1\u00a018.51\u00a0kJ\/mol, confirming stability. DFT (B3LYP\/6\u201031+G(d,p)) provided insights into structural and electronic properties. Total flavonoid content (TFC) of\n                    <jats:italic>Cycas revoluta<\/jats:italic>\n                    leaves was determined via the aluminum chloride method, yielding 130.65\u00a0\u00b1\u00a03.91\u00a0mg quercetin equivalent (QE)\/g (methanol) and 112.79\u00a0\u00b1\u00a03.38\u00a0mg\u00a0QE\/g (ethyl acetate), aligning with reported aromatase inhibition. Liquid chromatography\u2013mass spectrometry (LC\u2013MS) of the methanolic extract identified constituent flavonoids and biflavonoids. Findings suggest biflavonoids possess superior inhibitory potential, supporting their development as natural aromatase inhibitors.\n                  <\/jats:p>","DOI":"10.1002\/cbdv.202501571","type":"journal-article","created":{"date-parts":[[2025,9,11]],"date-time":"2025-09-11T20:39:41Z","timestamp":1757623181000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["In Silico Screening of Flavonoids From\n                    <i>Cycas<\/i>\n                    as Potential Aromatase Inhibitors for Breast Cancer Therapy and Estimation of Total Flavonoid Content and LC\u2013MS Analysis of\n                    <i>Cycas revoluta<\/i>\n                    Extract"],"prefix":"10.1002","volume":"22","author":[{"given":"Charu","family":"Bhutani","sequence":"first","affiliation":[{"name":"University School of Basic and Applied Sciences Guru Gobind Singh Indraprastha University  New Delhi India"},{"name":"Synthesis &amp; 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