01257nas a2200229   4500008004100000022001400041245010800055210006900163260010600232300001400338490000700352520039900359653001400758653001500772653002100787100001800808700001900826700001400845700001800859700002700877856012300904       2015                        eng d  a0040-403900aChiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride0 aChiral aziridine ring opening facile synthesis of Rmodletine and  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcSEP  a5269-52710 v563 a<p>A simple and efficient synthesis of chiral drugs (R)-mexiletine 1, an anti-arrhythmic drug and (R)-phenoxybenzamine hydrochloride 2, an anti-hypertensive drug has been described via controlled reductive ring opening of chiral aziridine as a key step. The target compounds 1 and 2 were obtained in overall yields of 34% and 10.5%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.</p>10aAziridine10aMexiletine10aPhenoxybenzamine1 aViswanadh, N.1 aVelayudham, R.1 aJambu, S.1 aSasikumar, M.1 aMuthukrishnan, Murugan  uhttps://library.ncl.res.in/content/chiral-aziridine-ring-opening-facile-synthesis-r-modletine-and-r-phenoxybenzamine-001223nas a2200229   4500008004100000022001400041245012300055210006900178260010600247300001200353490000700365520031100372653002700683653002500710653003700735100001800772700001700790700001800807700001800825700002700843856012300870       2016                        eng d  a0040-403900aAlternate synthesis of appetite suppressant (R)-2-benzylmorpholine employing Sharpless asymmetric epoxidation strategy0 aAlternate synthesis of appetite suppressant R2benzylmorpholine e  aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcFEB  a861-8630 v573 a<p>An alternate synthesis of (R)-2-benzylmorpholine 1, an appetite suppressant agent has been accomplished starting from readily available trans-cinnamyl alcohol employing Sharpless asymmetric epoxidation strategy as a key step, with an overall yield of 24%. (C) 2016 Elsevier Ltd. All rights reserved.</p>10a(R)-2-Benzylmorpholine10aAppetite suppressant10aSharpless asymmetric epoxidation1 aViswanadh, N.1 aMujumdar, P.1 aSasikumar, M.1 aKunte, S., S.1 aMuthukrishnan, Murugan  uhttps://library.ncl.res.in/content/alternate-synthesis-appetite-suppressant-r-2-benzylmorpholine-employing-sharpless-001175nas a2200217   4500008004100000022001300041245015400054210007100208260000800279300001400287490000700301520036800308100001800676700002500694700002200719700001900741700002200760700002000782700002200802856013300824       2018                        eng d  a1359734500aTransition metal free regio-selective C–H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)2 as the oxidant0 aTransition metal free regioselective C–H hydroxylation of chroma  cFEB  a2252-22550 v543 a<p>The chromanone scaffold is considered as a privileged structure in drug discovery. Herein, we report a highly efficient PhI(OAc)2 mediated regioselective, direct C–H hydroxylation of chromanones. This method offers easy access to substituted 6-hydroxy chromanones in moderate to good isolated yields, thus paving the way for their pharmaceutical studies.</p>1 aViswanadh, N.1 aGhotekar, Ganesh, S.1 aThoke, Mahesh, B.1 aVelayudham, R.1 aShaikh, Aslam, C.1 aKarthikeyan, M.1 aMuthukrishnan, M.  uhttps://library.ncl.res.in/content/transition-metal-free-regio-selective-c%E2%80%93h-hydroxylation-chromanones-towards-synthesis02862nas a2200229   4500008004100000245015400041210006900195260000800264300001200272490000700284520205300291100001402344700001802358700001602376700002002392700001902412700001502431700002002446700002202466700001502488856012902503       2019                        eng d00aSynthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors0 aSynthesis biological evaluation and molecular modeling studies o  cFEB  a111-1170 v783 a<p>A series <span class="hitHilite">of</span> <span class="hitHilite">novel</span> <span class="hitHilite">chromone</span>/<span class="hitHilite">aza</span>-<span class="hitHilite">chromone</span> <span class="hitHilite">fused</span> alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride <span class="hitHilite">as</span> the catalyst. All the synthesized compounds were tested for their c-<span class="hitHilite">Src</span> <span class="hitHilite">kinase</span> inhibitory activity. <span class="hitHilite">Aza</span>-<span class="hitHilite">chromone</span> compound showed <span class="hitHilite">Src</span> <span class="hitHilite">kinase</span> inhibition with an IC50 value <span class="hitHilite">of</span> 15.8 mu M. The compounds were subjected to <span class="hitHilite">molecular</span> docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein <span class="hitHilite">kinase</span> <span class="hitHilite">Src</span> (PDB code 1Y57) <span class="hitHilite">as</span> well <span class="hitHilite">as</span> phosphorylated tyrosine protein <span class="hitHilite">kinase</span> <span class="hitHilite">Src</span> (PDB code 2H8H). Docking and <span class="hitHilite">molecular</span> dynamic results revealed phosphorylated <span class="hitHilite">Src</span> tyrosine <span class="hitHilite">kinase</span> protein better results than unphosphorylated tyrosine <span class="hitHilite">Src</span> <span class="hitHilite">kinase</span> protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC <span class="hitHilite">of</span> 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for <span class="hitHilite">Src</span> <span class="hitHilite">kinase</span> <span class="hitHilite">inhibitors</span>.</p>
1 aBapat, S.1 aViswanadh, N.1 aMujahid, M.1 aShirazi, A., N.1 aTiwari, R., K.1 aParang, K.1 aKarthikeyan, M.1 aMuthukrishnan, M.1 aVyas, Renu  uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-modeling-studies-novel-chromoneaza-chromone01951nas a2200229   4500008004100000245015100041210006900192260000800261300001200269490000700281520111000288100001801398700001801416700001601434700002901450700001901479700002201498700003301520700002201553700001501575856013101590       2019                        eng d00aSynthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors0 aSynthesis biological evaluation and molecular modeling studies o  cFEB  a111-1170 v783 aA series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 µM. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.1 aBapat, Sanket1 aViswanadh, N.1 aMujahid, M.1 aShirazi, Amir, Nasrolahi1 aTiwari, Rakesh1 aParang, Keykavous1 aKarthikeyan, Muthukumarasamy1 aMuthukrishnan, M.1 aVyas, Renu  uhttps://library.ncl.res.in/content/synthesis-biological-evaluation-and-molecular-modeling-studies-novel-chromoneaza-chromone-0