{"id":472723,"date":"2021-04-07T08:33:25","date_gmt":"2021-04-07T12:33:25","guid":{"rendered":"http:\/\/www.marketnewsdesk.com\/?p=472723"},"modified":"2021-04-07T08:33:25","modified_gmt":"2021-04-07T12:33:25","slug":"simulations-plus-reports-successful-results-from-aidd-collaboration-with-large-pharmaceutical-company","status":"publish","type":"post","link":"https:\/\/www.marketnewsdesk.com\/index.php\/simulations-plus-reports-successful-results-from-aidd-collaboration-with-large-pharmaceutical-company\/","title":{"rendered":"Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company"},"content":{"rendered":"

<\/p>\n

Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company<\/b><\/p>\n

80% of preliminary molecules tested exhibit submicromolar activity and acceptable ADME properties<\/i><\/b><\/p>\n

LANCASTER, Calif.–(BUSINESS WIRE<\/a>)–
\nSimulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation software and services for pharmaceutical safety and efficacy, today announced that it has received initial experimental results from a collaborative research agreement it entered with a large pharmaceutical company in mid-2020 to evaluate the impact of the generative chemistry technology contained in the new Artificial Intelligence-driven Drug Design (AIDD) Module<\/a> in ADMET Predictor\u00ae.<\/a><\/p>\n

\nWorking alongside the partner company\u2019s R&D team, computational chemists at Simulations Plus evolved quantitative structure-activity relationship (QSAR) models for the specified drug target and defined a set of predicted endpoints against which to evaluate virtual lead molecules within the AIDD Module. The first 10 AIDD candidate molecules selected have now been synthesized and assayed by the partner. Besides being tested against the clinical target in whole cell assays, six of the compounds were evaluated for aqueous solubility and in rat and\/or human microsomal clearance assays for in vitro<\/i> metabolism. Two compounds were also assayed for binding to the human ether-a-gogo (hERG) gene product to assess their potential for cardiotoxicity.\n<\/p>\n

Dr. Robert D. Clark<\/a>, Senior Research Fellow at Simulations Plus and co-PI on the project, said: \u201cTo say we are very pleased with these results would be an understatement. Eight of the 10 designed compounds exhibited an IC50 below 1 \u00b5M, and the two most potent compounds had IC50 values below 100 nM. Perhaps just as importantly, we predicted the IC50 for biological activity quite accurately – our error was only threefold on average and within twofold for 60% of the candidates. All but one of the six solubilities measured were within fivefold of the ADMET Predictor estimated value, and the average predictive errors for rat and human microsomal clearance, also estimated using the ADMET Predictor default models, were 2.0- and 2.4-fold, respectively. More specifically, only one of the rat clearance predictions was off by more than threefold and none of the human clearance predictions were off by more than fivefold. This is a remarkable accomplishment for any drug design program.\u201d\n<\/p>\n

\n\u201cThe AIDD technology within ADMET Predictor enhances the dynamics of the medicinal and computational chemists\u2019 interaction. Importantly, the program can adapt to synthetic chemistry requirements,\u201d added Dr. Eric Jamois<\/a>, Director of Business Development. \u201cThese results demonstrate the unique value of the ADMET Predictor machine learning models coupled with the powerful AIDD technology, which required only activity data to optimize the molecules across a wide spectrum of properties. We are thrilled with how successfully this collaboration has advanced the validation of the AIDD Module in ADMET Predictor to help find the proverbial \u2018needle in a haystack,\u2019 and we eagerly await the next set of results from the ongoing research program.\u201d\n<\/p>\n

About Simulations Plus, Inc.<\/b><\/p>\n

\nSimulations Plus, Inc., is a leading provider of modeling and simulation software and consulting services supporting drug discovery, development research, and regulatory submissions. With our subsidiaries, Cognigen, DILIsym Services, and Lixoft, we offer solutions which bridge machine learning, physiologically based pharmacokinetics, quantitative systems pharmacology\/toxicology, and population PK\/PD modeling approaches. Our technology is licensed and applied by major pharmaceutical, biotechnology, chemical, consumer goods companies and regulatory agencies worldwide. For more information, visit our website at www.simulations-plus.com<\/a>. Follow us on Twitter<\/a> | Read our Environmental, Social, and Governance (ESG) Report<\/a>.\n<\/p>\n

Safe Harbor Statement Under the Private Securities Litigation Reform Act of 1995<\/b> \u2013 With the exception of historical information, the matters discussed in this press release are forward-looking statements that involve a number of risks and uncertainties. Words like \u201cbelieve,\u201d \u201cexpect\u201d and \u201canticipate\u201d mean that these are our best estimates as of this writing, but that there can be no assurances that expected or anticipated results or events will actually take place, so our actual future results could differ significantly from those statements. Factors that could cause or contribute to such differences include, but are not limited to: our ability to maintain our competitive advantages, acceptance of new software and improved versions of our existing software by our customers, the general economics of the pharmaceutical industry, our ability to finance growth, our ability to continue to attract and retain highly qualified technical staff, our ability to identify and close acquisitions on terms favorable to the Company, and a sustainable market. Further information on our risk factors is contained in our quarterly and annual reports and filed with the U.S. Securities and Exchange Commission.\n<\/p>\n

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View source version on businesswire.com: <\/span>https:\/\/www.businesswire.com\/news\/home\/20210407005173\/en\/<\/a><\/span><\/p>\n

Simulations Plus Investor Relations
\n<\/span>
Ms. Renee Bouche
\n
661-723-7723
\n
renee@simulations-plus.com<\/a><\/p>\n

Hayden IR
\n<\/span>
Mr. Cameron Donahue
\n
651-653-1854
\n
slp@haydenir.com<\/a><\/p>\n

KEYWORDS:<\/b> United States North America California<\/p>\n

INDUSTRY KEYWORDS:<\/b> Research Technology Consulting Professional Services Software Biotechnology General Health Pharmaceutical Health Science<\/p>\n

MEDIA:<\/b><\/p>\n\n\n\n\n
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Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company 80% of preliminary molecules tested exhibit submicromolar activity and acceptable ADME properties LANCASTER, Calif.–(BUSINESS WIRE)– Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation software and services for pharmaceutical safety and efficacy, today announced that it has received initial experimental results from a collaborative research agreement it entered with a large pharmaceutical company in mid-2020 to evaluate the impact of the generative chemistry technology contained in the new Artificial Intelligence-driven Drug Design (AIDD) Module in ADMET Predictor\u00ae. Working alongside the partner company\u2019s R&D team, computational chemists at Simulations Plus evolved quantitative structure-activity relationship (QSAR) models for the specified drug target and defined a set of … <\/p>\n

Continue reading “Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company”<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[],"tags":[],"class_list":["post-472723","post","type-post","status-publish","format-standard","hentry"],"yoast_head":"\nSimulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company - Market Newsdesk<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.marketnewsdesk.com\/index.php\/simulations-plus-reports-successful-results-from-aidd-collaboration-with-large-pharmaceutical-company\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company - Market Newsdesk\" \/>\n<meta property=\"og:description\" content=\"Simulations Plus Reports Successful Results from AIDD Collaboration with Large Pharmaceutical Company 80% of preliminary molecules tested exhibit submicromolar activity and acceptable ADME properties LANCASTER, Calif.–(BUSINESS WIRE)– Simulations Plus, Inc. 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