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European Journal of Medicinal Chemistry, ISSN 0223-5234, 08/2018, Volume 156, pp. 800 - 814
A number of 5-arylisatin derivatives were synthesized in 5–6 steps from readily available starting materials. Their structures were confirmed by 1H NMR and 13C... 
Angiogenesis | Synthesis | Proliferation | 5-phenylisatin | Migration | NQWUPWUECPPGIW-UHFFFAOYSA-N | ANLTXNNMSRCHCN-UHFFFAOYSA-N | PUNXJSZLFZQUAB-UHFFFAOYSA-N | VZNYACKYPSHSOU-UHFFFAOYSA-N | BHXSWBKMTUVULL-UHFFFAOYSA-N | DVVYNKPDVYRUCX-UHFFFAOYSA-N | HNLCFABWVBXZCD-UHFFFAOYSA-N | NLVWVQNXXBRNSF-UHFFFAOYSA-N | KFRCELJAQDCUFU-UHFFFAOYSA-N | LJIWGGIBHLOGIV-UHFFFAOYSA-N | KLRYXALRASRZSZ-UHFFFAOYSA-N | UZZKXZMLRJPWHY-UHFFFAOYSA-N | WJBPAFLRNLASSA-QRQIAZFYSA-N | WMKGTZOSXSVDFZ-UHFFFAOYSA-N | SRKOXUDYFFCIAD-UHFFFAOYSA-N | QRKGJDJKKVZLJZ-UHFFFAOYSA-N | ZDGMYXUBGVOAKW-UHFFFAOYSA-N | JNYHNYANZWQCGQ-UHFFFAOYSA-N | BMANTURQBSXOFX-UHFFFAOYSA-N | DRYRGMFBQMGXPB-UHFFFAOYSA-N | NUAMVJIXZFIQKX-UHFFFAOYSA-N | CALZDBFRPMTDQT-GYHWCHFESA-N | NDFUGRNSKABAHC-UHFFFAOYSA-N | DGSRGVDBCLLEQZ-JLPGSUDCSA-N | SCYQIRIBDBKXGG-UHFFFAOYSA-N | GLXDXOJIIXNBFX-UHFFFAOYSA-N | ORJDUBSLXFDEKU-UHFFFAOYSA-N | HMTMIKQLZXMAMT-UHFFFAOYSA-N | WOZYGCUDNFSAMU-UHFFFAOYSA-N | CGVRMPCDBYRPGV-UHFFFAOYSA-N | SZCKMTCYVDYGEB-UHFFFAOYSA-N | RKRAVBKCNMIBIK-UHFFFAOYSA-N | NFEWGBYJTMAOAE-UHFFFAOYSA-N | YIEYFAOUUYBIEG-UHFFFAOYSA-N | XQIGYJUCWBVHDV-UHFFFAOYSA-N | BOWDQFHYUWMVSK-UHFFFAOYSA-N | QJYUXPHANUMTLA-UHFFFAOYSA-N | JNWCIWDOWAVNEX-UHFFFAOYSA-N | MURNNTGIMOTEEI-UHFFFAOYSA-N | PQDURQOFPGFUFH-UHFFFAOYSA-N | LLGKXCGBYQERAR-UHFFFAOYSA-N | OEQVJYYMYNMBQR-UHFFFAOYSA-N | ZIFMYEUABOAUPY-UHFFFAOYSA-N | KKNIRCSVMWWEOY-UHFFFAOYSA-N | WPZWOMJBXSCVQY-UHFFFAOYSA-N | SZSAXLRFQKXWLL-UHFFFAOYSA-N | CGOUNXKCEGEARF-HAHDFKILSA-N | ZHYYSTBSIDKXEP-UHFFFAOYSA-N | JEAPPFRTYMXSOT-UHFFFAOYSA-N | RKCYEFAWSDGUSD-UHFFFAOYSA-N | VDJZRQWVBSDWGQ-UHFFFAOYSA-N | DPJQRIMBZXQXMJ-DXJNIWACSA-N | JGIUEALCJPSECX-UHFFFAOYSA-N | WXCWDAWGTWQPIB-VEILYXNESA-N | YNUKUKBQZLCNHO-UHFFFAOYSA-N | YRBIKCXVGGTAKX-UHFFFAOYSA-N | JPCMFBGBNFEZBC-UHFFFAOYSA-N | HDMORQPPXMLTHL-UHFFFAOYSA-N | APOPTOSIS | DESIGN | CHEMISTRY, MEDICINAL | DOCKING | ISATIN DERIVATIVES | INHIBITORS | Prevention | Antimitotic agents | Liver cancer | Liver | Leukemia | Antineoplastic agents | Cancer
Journal Article
Tetrahedron, ISSN 0040-4020, 08/2018, Volume 74, Issue 32, pp. 4289 - 4294
The Diels-Alder reactivity of 1,2-heteroborines (H4C4B(H)X, X = NH, PH, AsH; O, S, Se) has been computationally explored by means of Density Functional Theory... 
1,2-Heteroborines | Diels-Alder | Reactivity | Aromaticity | Activation strain model | PONOWYVXWZVCCC-UHFFFAOYSA-N | SRHVNFUDFFIVRN-NUBCRITNSA-N | YCEGGNNGACCHFZ-UHFFFAOYSA-N | ZSTCCYWGIXBRPV-UHFFFAOYSA-N | NTNGMURAICZZPC-UHFFFAOYSA-N | QCUMWZDVNMRVET-DPYQTVNSSA-N | IOQJCJHBDWXZSD-LURJTMIESA-N | DTGYORVSPXZQBM-MOJAZDJTSA-N | VNAOUIBJUVIGLA-UHFFFAOYSA-N | CHKCLPJIWDOSQM-UHFFFAOYSA-N | UHOVQNZJYSORNB-UHFFFAOYSA-N | CLXFSILJZKQTSQ-DPYQTVNSSA-N | PGDUPBGRQSLJLK-UHFFFAOYSA-N | TVASWQMJDYUUIV-KVFPUHGPSA-N | PWZYIISNJZBZQV-UHFFFAOYSA-N | ZEXMUHQFTFFKEH-CJJZRWNGSA-N | CVNJOQLFFFUABC-UHFFFAOYSA-N | RQNTTXFSYWVJTC-UHFFFAOYSA-N | VCGYXDRALTWCFJ-FYZOBXCZSA-N | OGZZEGWWYQKMSO-UHFFFAOYSA-N | CLXFSILJZKQTSQ-MOJAZDJTSA-N | UMHSJEDRIIKSDA-ZETCQYMHSA-N | RWRJVRXWGGLQLS-UHFFFAOYSA-N | MEUCBUADBJJJIM-UHFFFAOYSA-N | VJFYALMMNXTWRN-UHFFFAOYSA-N | UJIZQFICYZHGNK-UHFFFAOYSA-N | RSGUYISAUVGSNH-UHFFFAOYSA-N | VXFHRPANTVCIPR-NRISCCJGSA-N | ZDPCTADKEKBXLZ-UHFFFAOYSA-N | WVGXAASCDWGORG-UHFFFAOYSA-N | DTGYORVSPXZQBM-DPYQTVNSSA-N | VCGYXDRALTWCFJ-UHFFFAOYSA-N | VMRUNHMEWAQXLH-RXMQYKEDSA-N | QCUMWZDVNMRVET-MOJAZDJTSA-N | BOVKNQHKMJRFDH-UHFFFAOYSA-N | ZEFWGXUSXKYOKS-ZETCQYMHSA-N | CDFJCQZIHBKYRZ-UHFFFAOYSA-N | VHAIUPZTODXARC-UHFFFAOYSA-N | AVJVLDDGYUJTPU-UHFFFAOYSA-N | NIPJKMZODYZYJG-LURJTMIESA-N | PYYOTYPDWAFLMT-ZCFIWIBFSA-N | GUSVGQFIPAJYNZ-UHFFFAOYSA-N | FPYJFEHAWHCUMM-UHFFFAOYSA-N | PROAEQOBVSNCIT-UHFFFAOYSA-N | JURIEQICPHEWPD-MOJAZDJTSA-N | VXFHRPANTVCIPR-CDRLLEPJSA-N | JURIEQICPHEWPD-DPYQTVNSSA-N | BUDIPYFWNYIQGI-UHFFFAOYSA-N | KMMASONFEWIHBO-UHFFFAOYSA-N | NOODIUXEUXWPLQ-LURJTMIESA-N | ISUNFWIKLIQVHH-UHFFFAOYSA-N | VBUPWSLICFIRTD-UHFFFAOYSA-N | ZEXMUHQFTFFKEH-WWGBPYKYSA-N | BORON | HYDROGENATION | S(N)2 REACTIONS | CHEMISTRY, ORGANIC | ENERGY DECOMPOSITION ANALYSIS | MULTIBOND REACTIONS | MOLECULAR-ORBITAL THEORY | CYCLOADDITION REACTION | SYNCHRONICITY | Density functionals | Specific gravity
Journal Article
Journal of Organometallic Chemistry, ISSN 0022-328X, 12/2018, Volume 876, pp. 66 - 77
Bifunctional silanes ClCH2SiF3 and ClCH2SiF2Me react with N-trimethylsilyl-N-methylacetamide and its tautomer О-trimethylsilyl-N-methylacetimidate as ambident... 
Trans-silylation | Bifunctional (chloromethyl)fluorosilanes | N-trimethylsilyl-N-methylacetamide | O-trimethylsilyl-N-methylacetimidate | Alkylation | LZBXJLBYHFVKID-UHFFFAOYSA-N | GHULCXGKGMKDRP-YVFTVSHDSA-N | VNCINCFHIHBABX-UHFFFAOYSA-N | ZHMMUJBOBFHFGQ-FJXQXJEOSA-N | LEQPQYLSKOOZBC-OGFXRTJISA-N | NHVCXSOQGUQWPJ-UHDJGPCESA-N | DNZMWSMASHVUSH-UHFFFAOYSA-N | QZXIUIVNLBSEAV-SNVBAGLBSA-N | PXBXSQIAOCLLJL-XBXARRHUSA-N | IRKIANSIKSKTKR-VOTSOKGWSA-N | QHUOBLDKFGCVCG-UHFFFAOYSA-N | KJPHRQFOVIMVRY-SOFGYWHQSA-N | QHTVELKRMQXYEL-RMZRELHQSA-N | ZMQMFPJITFFNNN-UHFFFAOYSA-N | LYZQNNUMEMOAMJ-UHDJGPCESA-N | XVDDRRAIRVXXKL-UHFFFAOYSA-N | IJOOHPMOJXWVHK-UHFFFAOYSA-N | KMDJTGORMWBENH-XBXARRHUSA-N | LHMKUTKRLVWHGR-VMPITWQZSA-N | BUWVFXQXJZZXMB-JTQLQIEISA-N | CTIKAHQFRQTTAY-UHFFFAOYSA-N | GSSJYDPDBXWCQB-UHFFFAOYSA-N | KNBHNRSDNNQEDD-SOFGYWHQSA-N | HFYKLNXKBNFHFQ-UHFFFAOYSA-N | LBDKEDMWUNEPJA-KPKJPENVSA-N | YVAKMDBUZRKCCY-UHFFFAOYSA-N | JCCVPMDZJPSMKQ-QRPNPIFTSA-N | XZOLBVIGBYYFGV-UHFFFAOYSA-N | DQCRGAGEZPEQKW-VHODGJRUSA-N | OAAYVUOGEYBJKX-ZDTICIBISA-N | CWLUGSDHELAQNH-UHFFFAOYSA-N | GMVMMSWZWUKXFF-KMXZHCNGSA-N | QTEOOICTJFZYHL-XBXARRHUSA-N | PEELWXHICOPINM-UHFFFAOYSA-N | PPQLDFJGDNYQAV-SOFGYWHQSA-N | OVVYHHUTRRZFBO-UHFFFAOYSA-N | CHAMWPSLFQXIPT-UHFFFAOYSA-N | KATVUIAWELMJKD-UHFFFAOYSA-N | MZNJKFZRKLEMSZ-UHFFFAOYSA-N | PSYFYONVUBTXLR-UHDJGPCESA-N | YORSPWXYCHFRGC-UHFFFAOYSA-N | ICBLAYYRCPHQLM-UHFFFAOYSA-N | OIXFBORHATWXCM-UHFFFAOYSA-N | FPGLPOIMBLXJEY-UHFFFAOYSA-N | FESSCXXKADLNIV-YHNNWUSJSA-N | IGWTVVLXPBAHMC-UHFFFAOYSA-N | CRYSTAL-STRUCTURE | S(N)2 REACTIONS | REACTIVITY | CHEMISTRY, ORGANIC | INTRAMOLECULAR COORDINATION | CHEMISTRY, INORGANIC & NUCLEAR | REARRANGEMENT | SUBSTITUTED 2-PHENYLACETAMIDES | SILICON COMPLEXES | PENTACOORDINATE | DERIVATIVES | AMIDES | Amides | Nuclear magnetic resonance spectroscopy | Analysis | Silane
Journal Article
Tetrahedron, ISSN 0040-4020, 05/2019, Volume 75, Issue 19, pp. 2763 - 2770
KMnO -mediated oxidative C[sbnd]N bond cleavage of tertiary amines producing secondary amine was introduced, which was trapped by electrophiles (acyl chloride... 
KVZKXVUKFXXYMK-UHFFFAOYSA-N | WEWQWPBVOOSUPN-UHFFFAOYSA-N | LGSFCNQOKBXWSV-UHFFFAOYSA-N | UNHLIOCGYKIPMQ-UHFFFAOYSA-N | AHCKWEJCWNMPOC-UHFFFAOYSA-N | XWVZOCHPUVJKSD-UHFFFAOYSA-N | WHUZMDXNODMIIP-UHFFFAOYSA-N | OWUKKBKCYSHARY-UHFFFAOYSA-N | IXGKXDNXVMUNJE-UHFFFAOYSA-N | JTRXYDXSZLRHBM-UHFFFAOYSA-N | LCOPCEDFGGUYRD-UHFFFAOYSA-N | IHKIASZHUKYNEA-UHFFFAOYSA-N | SCIQYIYYMAPENJ-UHFFFAOYSA-N | XLMQTLGCVJWKGO-UHFFFAOYSA-N | MAZZBVWLOONVSQ-UHFFFAOYSA-N | Acyl chloride | LITQQXVRZFNDMV-UHFFFAOYSA-N | Amide | YJACBPFSRIMHFW-UHFFFAOYSA-N | MIPPUZLVNVNAPW-UHFFFAOYSA-N | VLJDAYGYFZKFGN-UHFFFAOYSA-N | CICSJMNWCSOMDH-UHFFFAOYSA-N | LUWGONODJOZTMQ-UHFFFAOYSA-N | MVDGHRIRJFXONZ-UHFFFAOYSA-N | WKDYQGMWPAPVBT-UHFFFAOYSA-N | NELWCGWIYQJYJY-UHFFFAOYSA-N | KMnO | IXAOBVXPTKIAED-UHFFFAOYSA-N | KRXAPUFKQQWAGK-UHFFFAOYSA-N | OEYWSNRVIODBJL-UHFFFAOYSA-N | UGHRBUNRVJUSFC-UHFFFAOYSA-N | VGFFGZGFETXMNS-UHFFFAOYSA-N | KFGDZDHOKBKEJZ-UHFFFAOYSA-N | RCOMQXDBEXYAML-UHFFFAOYSA-N | XGZZJMMAOGFTGG-UHFFFAOYSA-N | RAECVXWPFBWHOJ-UHFFFAOYSA-N | WJWGQMWVGSNLSI-UHFFFAOYSA-N | HEFFCQILGLLHQC-UHFFFAOYSA-N | GDTOEWWFOATDIW-UHFFFAOYSA-N | XGCAULAWUGUDFT-UHFFFAOYSA-N | HCQQGTYHBGXRTR-UHFFFAOYSA-N | VSURRQZMKWVYIC-UHFFFAOYSA-N | C[sbnd]N cleavage | Tertiary amine | FZIFUJULXRFHBB-UHFFFAOYSA-N | LQJYGXFRWWUKNT-UHFFFAOYSA-N | KJSQPVRSXVERSV-UHFFFAOYSA-N | OAZSHPNFKFANSG-UHFFFAOYSA-N | ACTIVATION | ALKYLATION | ARYLATION | AMIDATION | CHEMISTRY, ORGANIC | AMINATION | COOPERATIVE CATALYSIS | KMnO4 | C-N cleavage | CARBON-NITROGEN BOND | H BONDS | DERIVATIVES | METAL-FREE
Journal Article
Journal of Catalysis, ISSN 0021-9517, 11/2016, Volume 343, pp. 240 - 247
[Display omitted] •Electrocarboxylation of 2,3-dimethyl-butadiene at an onset potential of −1.3V.•Elucidation of electrocarboxylation mechanism by first... 
Electrochemistry | Density functional theory | Nickel | Mechanism | Carbon dioxide | JCOADMTVEFEMRB-UHFFFAOYSA-N | DCWNMBVZNOMUIO-UHFFFAOYSA-L | KAXRPGOVDVRQRV-UHFFFAOYSA-N | RLERLEQTWMVLOE-UHFFFAOYSA-N | YCYXAVOSNLLCKA-UHFFFAOYSA-N | SUQIPZMRMITSOM-UHFFFAOYSA-N | VOHHNFLDCHAUIY-UHFFFAOYSA-N | Mmc1.pdf | LYNHTPHTJWVPKK-UHFFFAOYSA-N | MYPVOBFYUVCLMO-UHFFFAOYSA-N | QPVGPARGNKXDJE-UHFFFAOYSA-N | JFHMZJRGAJXOEP-UHFFFAOYSA-N | LABRWMOJSAYDPL-UHFFFAOYSA-N | BXCJKFHLMPZGKJ-UHFFFAOYSA-N | WFTITXXWBRVCLK-UHFFFAOYSA-M | JBLZCMLQVGGGBV-QDXJQGPWSA-N | KAKZBPTYRLMSJV-UHFFFAOYSA-N | CIVKECGAWHNMMH-SYOLFDCTSA-N | DIKBKLULQCNWFE-UHFFFAOYSA-N | VDDAQBBXEZSNHH-UHFFFAOYSA-N | FHNSZOZVRKRZGQ-UHFFFAOYSA-N | IQKPCYQRKHJALH-UHFFFAOYSA-N | UMVYXLXQXUEFRV-UHFFFAOYSA-N | VSVKXOLIOSGVCJ-UHFFFAOYSA-L | VTHXEJIWTGATJW-UHFFFAOYSA-N | SEUCQUZIPWXOBH-UHFFFAOYSA-N | LRQIISNFNXZOAK-UHFFFAOYSA-J | WDSKYSABKOOQRK-UHFFFAOYSA-L | APAHXRGQWURMJR-UHFFFAOYSA-N | HREOABIJUTZHCI-UHFFFAOYSA-N | KVWZPQIVNKDUHM-UHFFFAOYSA-N | VOBMDCAGKGENRH-UHFFFAOYSA-N | UXMFHNKDQFFOOL-UHFFFAOYSA-N | OLNHBSNIVFVGGW-UHFFFAOYSA-N | NVRSOWPNPLTMAQ-UHFFFAOYSA-N | LAFORKIOPBPCNS-UHFFFAOYSA-N | OXJZEDNDPPJTJD-UHFFFAOYSA-N | VGGSQFUCUMXWEO-UHFFFAOYSA-N | LPGZPZDKTWWAEO-UHFFFAOYSA-N | AKBIZVWCXJQZLG-UHFFFAOYSA-J | LYJAGSWTKGGDOJ-UHFFFAOYSA-N | VNPMSJOKLISNOE-UHFFFAOYSA-N | LTGQENGTSNJDEH-UHFFFAOYSA-N | XLNXLMGKHNRSHN-UHFFFAOYSA-N | GSDRCAHUZXIGOX-UHFFFAOYSA-L | GUFOFKDUFACARE-UHFFFAOYSA-M | DKEHOOAKLFRDNY-UTZZRDIYSA-N | FPTIZLYXVNJBHP-UHFFFAOYSA-N | FZRZIQSGOOKBPC-UHFFFAOYSA-N | XLEGCVYSYKDRSA-UHFFFAOYSA-N | PLPJELUSDATAJG-UHFFFAOYSA-L | JISVROCKRBFEIQ-UHFFFAOYSA-N | GENAZHJYHPJKOC-UHFFFAOYSA-N | YYLXMOBNWLHUAR-BWRCCWPFSA-N | XYAPAZVKBADAFD-UHFFFAOYSA-N | GPUUZTOWDDTBBG-UHFFFAOYSA-N | XIOSRWXZKNQBOL-UHFFFAOYSA-N | ACIDS | CO2 | CHEMISTRY, PHYSICAL | ELECTROCHEMICAL REDUCTION | CATHODE | ENGINEERING, CHEMICAL | ALKENES | CARBON-DIOXIDE | SURFACES | Olefins | Butadiene | Catalysts | Formic acid | Density functionals | Atoms | Organic acids | or physical chemistry | Catalysis | Chemical Sciences | Theoretical and
Journal Article
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 03/2019, Volume 165, pp. 93 - 106
Candida albicans biofilm represents a major clinical problem due to its intrinsic tolerance to anti-fungal compounds and it has been highly related to... 
Indole derivatives | Candida albicans biofilm | Galleria mellonella | STFYECVTJVAXEL-UHFFFAOYSA-N | ZDAZUJBASMCUAK-UHFFFAOYSA-N | QEOATOUNLDHSQK-UHFFFAOYSA-N | RNQKFVUQTYKTMI-UHFFFAOYSA-N | JGMIQSWMEOLVBB-UHFFFAOYSA-N | AUCXPEQZOQAAFS-UHFFFAOYSA-N | PDAACQKFXIJYAL-UHFFFAOYSA-N | SDJNCZDWCAXMSH-UHFFFAOYSA-N | ZQTZHAMHKFWIBB-UHFFFAOYSA-N | IDNLCTISTSJTCZ-UHFFFAOYSA-N | FYEXJEHODQMAQH-UHFFFAOYSA-N | KTEDBFKQSUUOQJ-UHFFFAOYSA-N | BQHATOAEKBHBSG-ONEGZZNKSA-N | QWXWNQKFHDHYQE-UHFFFAOYSA-N | HXFLQBANGDSGQG-RMKNXTFCSA-N | ZHHGIWYVPGOVQF-UHFFFAOYSA-N | CXRBEIYAJRAXGL-UHFFFAOYSA-N | RHFWDNPLXMRBPV-UHFFFAOYSA-N | QRDRJCVOWLBKAI-UHFFFAOYSA-N | SAYITMHVAPIHOJ-UHFFFAOYSA-N | XHZHVKZMLSMJMV-UHFFFAOYSA-N | BVYXKWDLASTCIQ-UHFFFAOYSA-N | TZEPSZHSUYEGHK-UHFFFAOYSA-N | GECISELQTBSFMH-UHFFFAOYSA-N | GACNYZFBTRNWNF-UHFFFAOYSA-N | RQALFBAYWUEKQO-UHFFFAOYSA-N | QTJRJEPSSNWTEU-UHFFFAOYSA-N | DPKPMCBKYQFKCM-UHFFFAOYSA-N | FTKBYDWYXDQBIR-UHFFFAOYSA-N | NJBOOOMGSPXXEY-UHFFFAOYSA-N | TYTXPTDMAYMPCH-UHFFFAOYSA-N | ZVXBCYQLTVSTIA-UHFFFAOYSA-N | NGDRNYOVDLWVSF-UHFFFAOYSA-N | PRRZWJAGZHENJJ-UHFFFAOYSA-N | NTJSXZMZJOFXBE-UHFFFAOYSA-N | VRHMOCLINRGJOD-UHFFFAOYSA-N | GOYOQVBBVIZNBX-UHFFFAOYSA-N | QFHXYQKTLIINHH-UHFFFAOYSA-N | UAGBXHLSSFEDDU-UHFFFAOYSA-N | RNFBXOBIDNOBJJ-UHFFFAOYSA-N | ZIEAAKFMVJDXHQ-UHFFFAOYSA-N | ACID-DERIVATIVES | CHEMISTRY, MEDICINAL | IN-VIVO | Derivatives (Financial instruments) | Index Medicus
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 02/2019, Volume 163, pp. 649 - 659
Chagas disease is a neglected tropical disease (NTD) caused by the protozoan parasite Trypanosoma cruzi and is primarily transmitted to humans by the feces of... 
Chagas disease | Virtual screening | Validated hits | QSAR | High content screening | ADMET | YDUBFYIHZUAMSD-UHFFFAOYSA-N | GVDVCLSVHXYYLI-UHFFFAOYSA-N | AATNXLRILQHNNJ-UHFFFAOYSA-N | JJCWPJGSCGYDJY-UHFFFAOYSA-N | NOYMFFNOKLQSBC-UHFFFAOYSA-N | YWJZRAHEPABBHR-UHFFFAOYSA-N | KCFFGQZFWUERFK-UHFFFAOYSA-N | BYOLMMOSOOWSCY-UHFFFAOYSA-N | JGTKOGPGZTZRHR-UHFFFAOYSA-N | AOKMDMGBLJTZGR-UHFFFAOYSA-N | DXFMQYJFEFGUOP-UHFFFAOYSA-N | MNTNUJRSUUCIQU-UHFFFAOYSA-N | FPGVBDJFGIPBOP-UHFFFAOYSA-N | PVNVQDOMOBPOJT-UHFFFAOYSA-N | TWQKFBMUPUVCBS-UHFFFAOYSA-N | RWVBBRPYWDKZHZ-UHFFFAOYSA-N | GZLOHJDOCVFGGT-UHFFFAOYSA-N | XOPJDZYCKZQCOE-UHFFFAOYSA-N | RFAFVASFJZRVSO-UHFFFAOYSA-N | HTCCIUHRGFQLQN-UHFFFAOYSA-N | ZSGOAOORBZJWLL-UHFFFAOYSA-N | CXTFKBZEJHZYLK-UHFFFAOYSA-N | SYSNWVRIFFGJMH-IYLWIWFWSA-N | ADURSCIXNLSVQS-UHFFFAOYSA-N | OMGYDFJDQNSOID-UHFFFAOYSA-N | SQRZBVGHYBLYAV-UHFFFAOYSA-N | IDFBBTXKWWRWRE-UHFFFAOYSA-N | WYPKEYYHHGXWMF-UHFFFAOYSA-N | GEKWYGVEXDUQMM-YBFXNURJSA-N | INFUOHFIFLJRQU-UHFFFAOYSA-N | HFGPYNFXBGMMSA-UHFFFAOYSA-N | DRTFDDDOEPZMBV-UHFFFAOYSA-N | YZFKPFBMODFUJJ-UHFFFAOYSA-N | HRXHGCHJYURSOR-UHFFFAOYSA-N | IFKWKGQLVLTMRK-UHFFFAOYSA-N | ZWIWAKSDZPSANW-UHFFFAOYSA-N | XIHFGQFLZWWLPW-UHFFFAOYSA-N | DDVVNKRYLQKSGG-UHFFFAOYSA-N | QSIMVHYUETVKLU-UHFFFAOYSA-N | CHEMISTRY, MEDICINAL | PERMEABILITY | DRUG DISCOVERY | CHAGAS-DISEASE | VALIDATION | RANDOM FOREST | SOLUBILITY | MODELS | CURATION | Index Medicus
Journal Article
European Journal of Medicinal Chemistry, ISSN 0223-5234, 02/2019, Volume 163, pp. 281 - 294
Bromodomain-containing protein 4 (BRD4), an epigenetic reader of acetyl lysine, has emerged as a promising therapeutic target for many diseases including... 
Bromodomain-containing protein 4 | Computer-aided drug design | Rational hit-to-lead optimization | Early ADME/T evaluation | 8-OH-Quinoline | Anti-cancer activity | FEIXONKJUYDGKE-UHFFFAOYSA-N | UINKKCFSZHIWED-UHFFFAOYSA-N | UWZHMPZOPZIOBH-UHFFFAOYSA-N | HWNPIGIJVNLLIF-UHFFFAOYSA-N | ITVGSUDIXKOOGH-UHFFFAOYSA-N | RSKFSLIKLUNPRJ-UHFFFAOYSA-N | YMOPKPJDBNRMRC-UHFFFAOYSA-N | HMKVSPGHKJXDAX-UHFFFAOYSA-N | JIAGGSRRAAHALT-UHFFFAOYSA-N | OKRGPPMJIWCPOE-UHFFFAOYSA-N | XRTMJBANLXBOSA-UHFFFAOYSA-N | CPIHNVDLTFAAEW-UHFFFAOYSA-N | QLJOSEUOQHDGTQ-UHFFFAOYSA-N | IALZSHJOSKRTDA-UHFFFAOYSA-N | FPUGBRWKTVEICK-UHFFFAOYSA-N | NATLUQYUVYCKGK-UHFFFAOYSA-N | XHVDVFNHQJLOBV-UHFFFAOYSA-N | AGPMHLXQLDJTMV-UHFFFAOYSA-N | YPEUTQKEMPFPKO-UHFFFAOYSA-N | AHQPELXRFVVVKY-UHFFFAOYSA-N | GBHRZQDNOKVUAU-UHFFFAOYSA-N | ORGIQKWUTQHCFB-UHFFFAOYSA-N | VOMRBSYEEJNXDI-UHFFFAOYSA-N | AUHBGCJUWVUHDJ-UHFFFAOYSA-N | DRKSMDCXYZRRGL-UHFFFAOYSA-N | JWPQSPJDWCVDDB-UHFFFAOYSA-O | JCSQDVFNKQXSSF-UHFFFAOYSA-N | NTOUCWZDJVFSIO-UHFFFAOYSA-N | MOJZOPGJDOSKQQ-UHFFFAOYSA-N | XCEKQNBOABFJLY-UHFFFAOYSA-N | GRJPMHCLEGJVJX-UHFFFAOYSA-N | IBBFFYQBJRPFRH-DEDYPNTBSA-N | XXBBKQPFNKQHAQ-UHFFFAOYSA-N | YXJNDTUHHXQKNL-UHFFFAOYSA-N | OLWUIQOVWISLBT-UHFFFAOYSA-N | FVANFLJHBJMTAO-UHFFFAOYSA-N | GKUPVDUJJGVFGI-UHFFFAOYSA-N | FWRGZMWNWBBHLD-UHFFFAOYSA-N | DQZHKQYVEGZFRE-UHFFFAOYSA-N | MDKCZRHHDKLGFU-UHFFFAOYSA-N | CHEMISTRY, MEDICINAL | DRUG DESIGN | CANCER | DISCOVERY | POTENT | LIGANDS | MYC | OPTIMIZATION
Journal Article
Bioorganic & Medicinal Chemistry Letters, ISSN 0960-894X, 09/2018, Volume 28, Issue 17, pp. 2979 - 2984
A series of pyrazolo[3,4-d]pyrimidine derivatives containing Schiff base was synthesized. Compounds 5y and 5aa exhibited excellent antiviral activity against... 
Schiff base | Pyrazolo[3,4-d]pyrimidine | Molecular docking | Antiviral activity | AWRYWUXZPWEGMZ-REZTVBANSA-N | NMBRCUQFFSCKOJ-FRKPEAEDSA-N | WCIAWDONFWQAGP-UHFFFAOYSA-N | CBJAOOXXTPSOLT-VIZOYTHASA-N | JKKQWVVDGMTXPR-OMCISZLKSA-N | IAJUSFPXNMPMFP-SYZQJQIISA-N | OMCOLYYBELREHP-LHHJGKSTSA-N | RWHKMCAUWHIOCS-WUXMJOGZSA-N | RNUASPIEZKHLLA-LHHJGKSTSA-N | RNYZJFGNVRJBRF-FRKPEAEDSA-N | XAKGEQLFVUBVML-WUXMJOGZSA-N | OQRMFCDBRZMINH-MKMNVTDBSA-N | XNVSNJUMLJWFMO-OMCISZLKSA-N | KLRPLYVCPQRLRB-PJQLUOCWSA-N | AMTNEOOXRXWRCM-YAXRCOADSA-N | JENMSLPZSGMTJB-REZTVBANSA-N | RWWXQODYOPFBQM-GIDUJCDVSA-N | RDJSZXARXGALQP-REZTVBANSA-N | ORFLBOXAUYGODB-GIDUJCDVSA-N | QRKJTDALEQWBTK-VGOFMYFVSA-N | FAWORDBUPCDJHF-VIZOYTHASA-N | PJPULIXXEOCLQG-OMCISZLKSA-N | QDVKGTBCFZTXDG-FRKPEAEDSA-N | OLKSNIVQMRCSJZ-UBKPWBPPSA-N | PWWLLXGBICCGEI-FZSIALSZSA-N | ZVADRITWHMRBQP-CXUHLZMHSA-N | HWQWEWGQLIQLOZ-REZTVBANSA-N | KRUDYPVNOBPVEA-UBKPWBPPSA-N | QAMUGIJEYLOARY-LZYBPNLTSA-N | NVBQIDGJIOLBFT-GIDUJCDVSA-N | VXTJXLMBWKNDLK-VIZOYTHASA-N | PMZCIEIUZYAOGL-UHFFFAOYSA-N | TVKDNILWGVYQAU-UHFFFAOYSA-N | BPOQQDJRWDOIEB-UHFFFAOYSA-N | RZOLJYUWCDHIGH-OMCISZLKSA-N | HFJRRPIHLFGLBQ-UBKPWBPPSA-N | MAONEPGLKKOQLN-MKMNVTDBSA-N | XTTVXBKEJVEKBS-MKMNVTDBSA-N | BIOACTIVITY | TOBACCO-MOSAIC-VIRUS | DESIGN | CHEMISTRY, MEDICINAL | PROTEIN | RESOLUTION | ANTIBACTERIAL | CHEMISTRY, ORGANIC | Pyrazolo [3, 4-d]pyrimidine | INSECTICIDAL ACTIVITY | ANTIMICROBIAL ACTIVITY | Antiviral Agents - pharmacology | Pyrazoles - chemical synthesis | Pyrimidines - chemical synthesis | Structure-Activity Relationship | Pyrimidines - pharmacology | Pyrimidines - chemistry | Schiff Bases - pharmacology | Dose-Response Relationship, Drug | Microbial Sensitivity Tests | Pyrazoles - chemistry | Antiviral Agents - chemistry | Schiff Bases - chemistry | Antiviral Agents - chemical synthesis | Schiff Bases - chemical synthesis | Molecular Structure | Tobacco Mosaic Virus - drug effects | Pyrazoles - pharmacology
Journal Article