{"action":"created","issue":{"url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/issues/2","repository_url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols","labels_url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/issues/2/labels{/name}","comments_url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/issues/2/comments","events_url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/issues/2/events","html_url":"https://github.com/OpenSourceMycetoma/Series-1-Fenarimols/issues/2","id":294572505,"number":2,"title":"Project Launch. 2. Which Fenarimol Analogs Should be Made Next?","user":{"login":"mattodd","id":4386101,"avatar_url":"https://avatars1.githubusercontent.com/u/4386101?v=4","gravatar_id":"","url":"https://api.github.com/users/mattodd","html_url":"https://github.com/mattodd","followers_url":"https://api.github.com/users/mattodd/followers","following_url":"https://api.github.com/users/mattodd/following{/other_user}","gists_url":"https://api.github.com/users/mattodd/gists{/gist_id}","starred_url":"https://api.github.com/users/mattodd/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mattodd/subscriptions","organizations_url":"https://api.github.com/users/mattodd/orgs","repos_url":"https://api.github.com/users/mattodd/repos","events_url":"https://api.github.com/users/mattodd/events{/privacy}","received_events_url":"https://api.github.com/users/mattodd/received_events","type":"User","site_admin":false},"labels":[{"id":826487050,"url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/labels/Question","name":"Question","color":"d876e3","default":false}],"state":"open","locked":false,"assignee":{"login":"mattodd","id":4386101,"avatar_url":"https://avatars1.githubusercontent.com/u/4386101?v=4","gravatar_id":"","url":"https://api.github.com/users/mattodd","html_url":"https://github.com/mattodd","followers_url":"https://api.github.com/users/mattodd/followers","following_url":"https://api.github.com/users/mattodd/following{/other_user}","gists_url":"https://api.github.com/users/mattodd/gists{/gist_id}","starred_url":"https://api.github.com/users/mattodd/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mattodd/subscriptions","organizations_url":"https://api.github.com/users/mattodd/orgs","repos_url":"https://api.github.com/users/mattodd/repos","events_url":"https://api.github.com/users/mattodd/events{/privacy}","received_events_url":"https://api.github.com/users/mattodd/received_events","type":"User","site_admin":false},"assignees":[{"login":"mattodd","id":4386101,"avatar_url":"https://avatars1.githubusercontent.com/u/4386101?v=4","gravatar_id":"","url":"https://api.github.com/users/mattodd","html_url":"https://github.com/mattodd","followers_url":"https://api.github.com/users/mattodd/followers","following_url":"https://api.github.com/users/mattodd/following{/other_user}","gists_url":"https://api.github.com/users/mattodd/gists{/gist_id}","starred_url":"https://api.github.com/users/mattodd/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mattodd/subscriptions","organizations_url":"https://api.github.com/users/mattodd/orgs","repos_url":"https://api.github.com/users/mattodd/repos","events_url":"https://api.github.com/users/mattodd/events{/privacy}","received_events_url":"https://api.github.com/users/mattodd/received_events","type":"User","site_admin":false}],"milestone":null,"comments":31,"created_at":"2018-02-05T22:57:46Z","updated_at":"2018-02-15T20:19:09Z","closed_at":null,"author_association":"CONTRIBUTOR","body":"In the [preprint](https://www.biorxiv.org/content/early/2018/02/02/258905) that was posted at project launch, the resynthesis of some active compounds was described, along with the evaluation of a few new compounds. These are shown again below, and are in the [Master List](http://tinyurl.com/MycetomaMols) of molecules for the project.\r\n\r\n![hung duong first set 2017](https://user-images.githubusercontent.com/4386101/35833097-db241c58-0b23-11e8-8758-ec20e81f050d.jpeg)\r\n\r\n\r\nSince the paper was submitted, an Honours student at Sydney Uni who carried out the synthetic work for the paper, Hung Duong (@fantasy121), completed another small set of compounds that have been shipped to Wendy van de Sande's lab for evaluation. We're awaiting potency data, but these compounds are in the Master List and shown below (note a couple of minor issues in the sheet for these compounds that need to be fixed). They interrogate the importance of the central heteroatom for the 3-aromatic ring subseries, and they examine the impact of varying the piperazine moiety.\r\n\r\n![hung duong sent oct 2017](https://user-images.githubusercontent.com/4386101/35833133-ffb71354-0b23-11e8-87b8-93440f9aa931.jpeg)\r\n\r\nWe have a new student starting at the lab in Sydney today, Matthew O'Dowd (@mattodowd25). So, the question for him and for anyone else interested in becoming involved in the chemistry: **What should be make next?**\r\n\r\nThe aim (in response to a query below): to discover some additional potent compounds (alongside some inactives) in order to bolster the SAR.\r\n\r\n(note that the original Epichem library #1 may contain some compounds of interest which therefore need not be made).\r\n\r\nChemdraws:\r\n[Hung Duong Chemdraws.zip](https://github.com/OpenSourceMycetoma/Series-1-Fenarimols/files/1697105/Hung.Duong.Chemdraws.zip)\r\n"},"comment":{"url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/issues/comments/366049114","html_url":"https://github.com/OpenSourceMycetoma/Series-1-Fenarimols/issues/2#issuecomment-366049114","issue_url":"https://api.github.com/repos/OpenSourceMycetoma/Series-1-Fenarimols/issues/2","id":366049114,"user":{"login":"MFernflower","id":3164942,"avatar_url":"https://avatars1.githubusercontent.com/u/3164942?v=4","gravatar_id":"","url":"https://api.github.com/users/MFernflower","html_url":"https://github.com/MFernflower","followers_url":"https://api.github.com/users/MFernflower/followers","following_url":"https://api.github.com/users/MFernflower/following{/other_user}","gists_url":"https://api.github.com/users/MFernflower/gists{/gist_id}","starred_url":"https://api.github.com/users/MFernflower/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/MFernflower/subscriptions","organizations_url":"https://api.github.com/users/MFernflower/orgs","repos_url":"https://api.github.com/users/MFernflower/repos","events_url":"https://api.github.com/users/MFernflower/events{/privacy}","received_events_url":"https://api.github.com/users/MFernflower/received_events","type":"User","site_admin":false},"created_at":"2018-02-15T20:19:09Z","updated_at":"2018-02-15T20:19:09Z","author_association":"NONE","body":"Can you post a graphic detaling the compounds you docked? I dont have pymol\n\nOn Feb 15, 2018 2:33 PM, \"Ho Leung Ng\" <notifications@github.com> wrote:\n\n> Working on the homology model. Will take some time.\n>\n> In the meantime, the most closely related sequences in the PDB to M.\n> mycetomatis CYP51 come from Aspergillus fumigatus. PDB codes 4uyl, 4uym,\n> 5frb. Pymol session file attached.\n>\n> [image: overlay]\n> <https://user-images.githubusercontent.com/10951570/36276820-aaeb50e6-1254-11e8-938f-3b4a11308ede.png>\n>\n> overlay.pse.zip\n> <https://github.com/OpenSourceMycetoma/Series-1-Fenarimols/files/1729112/overlay.pse.zip>\n>\n> —\n> You are receiving this because you were mentioned.\n> Reply to this email directly, view it on GitHub\n> <https://github.com/OpenSourceMycetoma/Series-1-Fenarimols/issues/2#issuecomment-366036777>,\n> or mute the thread\n> <https://github.com/notifications/unsubscribe-auth/ADBLDtfGyCGaEJ5UmPbOQOQoaUtHB5wpks5tVIZ2gaJpZM4R6O0Z>\n> .\n>\n"}}
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