{"id":4222,"date":"2020-10-11T11:12:29","date_gmt":"2020-10-11T09:12:29","guid":{"rendered":"https:\/\/blog.molport.com\/?p=4222"},"modified":"2022-05-11T11:48:26","modified_gmt":"2022-05-11T09:48:26","slug":"molport-database-and-services-in-action-in-rd","status":"publish","type":"post","link":"https:\/\/blog.molport.com\/news\/molport-database-and-services-in-action-in-rd\/","title":{"rendered":"MolPort Database and Services in Action in R&D"},"content":{"rendered":"

A round-up of recent publications describing MolPort’s contributions to cutting-edge R&D projects<\/h2>\n
\n

We recently\u00a0described two publications<\/a>\u00a0which cited the use of MolPort’s database of natural and natural-like products (a) to create a small, diverse yet representative set of available compounds, and (b) in the search for potential Covid-19 therapeutics.<\/p>\n

In this post, we are pleased to share details of other recent articles, papers, and books which discuss the use of MolPort’s range of databases and services to assist in R&D efforts, and exemplify MolPort’s commitment to simplifying and streamlining available compound location and acquisition.<\/p>\n

Hunting for reliable suppliers of large numbers of diverse structures, and then negotiating prices, specifying required purity levels and sample formats, as well as dealing with customs forms and other paperwork are time-consuming and a drag on leading-edge research: so researchers in biopharma, academia, and government institutes are increasingly turning to MolPort to address these challenges across multiple applications and disciplines.<\/p>\n

In the papers and books mentioned below, the MolPort database is often cited as a rich source of available diverse structures for use in in silico drug design1<\/sup>, modelling and simulation2<\/sup>, and virtual screening6,7,8,10<\/sup>. The MolPort database is also used to supply hard-to-find intermediates for planned syntheses4<\/sup>\u00a0and as samples for testing in bioassays5<\/sup>, including against Covid-199<\/sup>.<\/p>\n

If you are interested in MolPort’s array of compound acquisition services, please\u00a0contact us<\/a>.<\/p>\n

    \n
  1. In Silico Drug Design: Repurposing Techniques and Methodologies<\/em>
    \nKunal Roy, Academic Press, 12 Feb 2019<\/li>\n
  2. High-Performance Modelling and Simulation for Big Data Applications<\/em>
    \nJoanna Ko\u0142odziej, Horacio Gonz\u00e1lez-V\u00e9lez, Springer, 25 Mar 2019<\/li>\n
  3. Beyond Antimicrobials: Non-Traditional Approaches to Combating Multidrug-Resistant Bacteria<\/em>
    \nNatalia V. Kirienko, Laurence Rahme, You-Hee Cho, Frontiers Media SA, 24 Dec 2019<\/li>\n
  4. A Concise Semisynthesis of Hederagonic Acid: C\u2013H Activation in Natural Product Synthesis<\/em>
    \nChristian Knittl-Frank, Springer Nature, 6 Apr 2020<\/li>\n
  5. Biological Activities of Alkaloids: From Toxicology to Pharmacology<\/em>
    \nSabino Aurelio Bufo, Linda L. Blythe, Zbigniew Adamski, Luigi Milella, MDPI, 13 May 2020<\/li>\n
  6. Identification of potential Mycolyltransferase Ag85C inhibitors of Mycobacterium tuberculosis H37Rv via Virtual High Throughput Screening and Binding free energy studies.<\/em>
    \nJ Mol Graph Model. July 2020;\u00a0    https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S1093326319309143?via%3Dihub<\/a><\/li>\n
  7. Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic and dynamic, and ADMET profiling [published online 14 Aug 2020].<\/em>
    \nJ Biomol Struct Dyn. Aug 2020;\u00a0    https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/07391102.2020.1806930<\/a><\/li>\n
  8. In Silico Identification of Potential Inhibitors of ADP-Ribose Phosphatase of SARS-CoV-2 nsP3 by Combining E-Pharmacophore- and Receptor-Based Virtual Screening of Database.<\/em>
    \nChemistry Select. 14 Aug 2020;\u00a0    https:\/\/www.ncbi.nlm.nih.gov\/pmc\/articles\/PMC7436600\/<\/a><\/li>\n
  9. Can a Medicine for Cats Cure COVID-19?<\/em>
    \n1 Sep 2020;\u00a0    https:\/\/www.medicinenet.com\/can_a_medicine_for_cats_cure_covid-19-news.htm<\/a><\/li>\n
  10. Evaluation of Artificial Intelligence in Participating Structure-Based Virtual Screening for Identifying Novel Interleukin-1 Receptor Associated Kinase-1 Inhibitors<\/em>
    \nFront. Oncol., 03 September 2020;\u00a0    https:\/\/www.frontiersin.org\/articles\/10.3389\/fonc.2020.01769\/full<\/a><\/li>\n<\/ol>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

    A round-up of recent publications describing MolPort’s contributions to cutting-edge R&D projects We recently\u00a0described two publications\u00a0which cited the use of MolPort’s database of natural and natural-like products (a) to create a small, diverse yet representative set of available compounds, and (b) in the search for potential Covid-19 therapeutics. In this post, we are pleased to<\/p>\n","protected":false},"author":6,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[70],"tags":[68,80,79,77,78],"acf":[],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts\/4222"}],"collection":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/users\/6"}],"replies":[{"embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/comments?post=4222"}],"version-history":[{"count":1,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts\/4222\/revisions"}],"predecessor-version":[{"id":4223,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/posts\/4222\/revisions\/4223"}],"wp:attachment":[{"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/media?parent=4222"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/categories?post=4222"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/blog.molport.com\/wp-json\/wp\/v2\/tags?post=4222"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}