{"id":15909,"date":"2023-06-02T11:58:06","date_gmt":"2023-06-02T09:58:06","guid":{"rendered":"https:\/\/semmelweis.hu\/corefacility\/?page_id=15909"},"modified":"2026-01-20T13:24:22","modified_gmt":"2026-01-20T12:24:22","slug":"lead-optimalization-and-characterization","status":"publish","type":"page","link":"https:\/\/semmelweis.hu\/corefacility\/home\/lead-optimalization-and-characterization\/","title":{"rendered":"Lead optimalization and characterization"},"content":{"rendered":"<div class=\"keretes\" style=\"border-left: 6px solid #4d9de0 !important\">\n<p><strong>Head of Core Facility<br \/>\n<\/strong>Gy\u00f6rgy Tibor Balogh Prof. Dr.\u00a0<br \/>\nIstv\u00e1n M\u00e1ndity Dr.<\/p>\n<p><strong>Core Facility Address<br \/>\n<\/strong>Department of Pharmaceutical Chemistry<br \/>\nH-1092 Budapest, <br \/>\nH\u0151gyes Endre u. 7-9.<\/p>\n<p><strong>Contact E-mail<br \/>\n<\/strong><a href=\"mailto:lead-optimization.medchem@semmelweis.hu\">lead-optimization.medchem@semmelweis.hu\u00a0<\/a><\/p>\n<p><strong>Number of staff<br \/>\n<\/strong>5<\/p>\n<p><strong>Quality Control<br \/>\n<\/strong>ISO9001<\/p>\n<\/div>\n<h4><strong>What we offer<\/strong><\/h4>\n<ul style=\"list-style-type: square\">\n<li><span style=\"font-size: 1rem\">Custom synthesis of target compounds with multiparametric optimization, ensuring \u226598+% purity; optional sample integrity and complete structure elucidation.<\/span><\/li>\n<li>On request, chemical optimization to support SAR studies in collaboration with pharmacists and in silico modeling group.<\/li>\n<li>Physicochemical characterization of drug candidates (pKa, logP\/D, kinetic\/thermodynamic solubility in SGF, PBS, FeSSIF, FaSSIF; chemical stability in DMSO and PBS pH 7.4).<\/li>\n<li>In vitro pharmacokinetics and early ADME assessment, including non-cell-based permeability (PAMPA-GI, BBB, cornea), kinetic solubility, dissolution\u2013permeation, plasma protein binding (HTS RED), and metabolic stability assays (multi-species liver microsomes; MetStab%, t\u00bd, Clint).<\/li>\n<\/ul>\n<h4>\u00a0<\/h4>\n<h4><strong>Why work with us<\/strong><\/h4>\n<p style=\"text-align: justify\">We provide solid-phase immobilization of small molecules and supramolecular polymer synthesis in a specialized facility. Biomimetic platforms using flow chemistry and electrochemical oxidation enable access to novel chemical space, continuous production, and process optimization. Structure elucidation and sample integrity are confirmed by advanced analytical methods, followed by comprehensive pharmacokinetic characterization.<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone\" src=\"https:\/\/semmelweis.hu\/corefacility\/files\/2023\/06\/Hit-to-lead-drug-development3.jpg\" alt=\"Automated identification\" width=\"410\" height=\"275\" \/><\/p>\n<h4><strong>equipmentS<\/strong><\/h4>\n<ul>\n<li>Varian Mercury Plus 400 MHz NMR spectrometer\u00a0<\/li>\n<li>Waters HR-MS (ESI- and LA-REIMS &#8211; qTOF instrument) QDa LC-MS\/MS, methods for quantitative and qualitative\u00a0investigation for early-stage metabolism studies\u00a0<\/li>\n<li>Shimadzu LCMS-2020\u00a0<\/li>\n<li>Shimadzu MS<\/li>\n<li>Shimadzu IR spectrometer (single ATR, horizonal ATR, transmittance)\u00a0<\/li>\n<li>Jasco 4600 FT-IR, ATR-FT-IR, optical polarimeter\u00a0<\/li>\n<li>TECAN Infinite M200 plate reader\u00a0<\/li>\n<li>\u03bcFlux and Gut-Box\u2122 (Pion Inc.)\u00a0<\/li>\n<li>Shimadzu AA-7000 equipped with graphite furnace atomizer and auto-sampler<\/li>\n<\/ul>\n<table style=\"height: 225px;width: 44.2527%;border-collapse: collapse;border-style: hidden\">\n<tbody>\n<tr style=\"height: 225px\">\n<td style=\"width: 25.3024%;vertical-align: top;height: 225px;border-style: hidden\">\n<h4><img loading=\"lazy\" decoding=\"async\" class=\"alignleft\" style=\"color: #1e2326;font-family: 'PT serif', serif;font-size: 20px;text-transform: none\" src=\"https:\/\/semmelweis.hu\/corefacility\/files\/2023\/06\/Hit-to-lead-drug-development2.jpg\" alt=\"Automated purification\" width=\"242\" height=\"181\" \/><\/h4>\n<\/td>\n<td style=\"width: 17.6854%;vertical-align: top;height: 225px;border-style: hidden\">\n<h4><img loading=\"lazy\" decoding=\"async\" class=\"\" src=\"https:\/\/semmelweis.hu\/corefacility\/files\/2023\/06\/Hit-to-lead-drug-development.jpg\" alt=\"\" width=\"139\" height=\"185\" \/><\/h4>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h4>\u00a0<\/h4>\n<h4><strong>References<\/strong><\/h4>\n<ul style=\"list-style-type: square\">\n<li>Our collaborating partners: Merck, InVitrogen, Egis\u00a0<\/li>\n<li><a href=\"https:\/\/doi.org\/10.1007\/s10895-021-02851-9\">https:\/\/doi.org\/10.1007\/s10895-021-02851-9\u00a0<\/a><\/li>\n<li><a href=\"https:\/\/doi.org\/10.1038\/s41598-023-46317-3\">https:\/\/doi.org\/10.1038\/s41598-023-46317-3<\/a><\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Head of Core Facility Gy\u00f6rgy Tibor Balogh Prof. Dr.\u00a0 Istv\u00e1n M\u00e1ndity Dr. Core Facility Address Department of Pharmaceutical Chemistry H-1092 Budapest, H\u0151gyes Endre u. 7-9. Contact E-mail <a href=\"mailto:lead-optimization.medchem@semmelweis.hu\">lead-optimization.medchem@semmelweis.hu\u00a0<\/a> Number of staff 5 Quality Control ISO9001 What we offer Custom synthesis of target compounds with multiparametric optimization, ensuring \u226598+% purity; optional sample integrity and complete structure elucidation. &hellip;<\/p>\n","protected":false},"author":102026,"featured_media":15948,"parent":14502,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"template-fullwidth.php","meta":{"_acf_changed":false,"footnotes":""},"categories":[15,37],"tags":[],"class_list":["post-15909","page","type-page","status-publish","has-post-thumbnail","hentry","category-core-facility","category-medicinal-chemistry"],"acf":[],"_links":{"self":[{"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/pages\/15909","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/users\/102026"}],"replies":[{"embeddable":true,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/comments?post=15909"}],"version-history":[{"count":10,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/pages\/15909\/revisions"}],"predecessor-version":[{"id":16590,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/pages\/15909\/revisions\/16590"}],"up":[{"embeddable":true,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/pages\/14502"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/media\/15948"}],"wp:attachment":[{"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/media?parent=15909"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/categories?post=15909"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/semmelweis.hu\/corefacility\/wp-json\/wp\/v2\/tags?post=15909"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}