<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ponnusamy, Sudha</style></author><author><style face="normal" font="default" size="100%">Smita S. Zinjarde</style></author><author><style face="normal" font="default" size="100%">Bhargava, Shobha</style></author><author><style face="normal" font="default" size="100%">Rajamohanan, P. R.</style></author><author><style face="normal" font="default" size="100%">RaviKumar, Ameeta</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Discovering bisdemethoxycurcumin from curcuma longa rhizome as a potent small molecule inhibitor of human pancreatic alpha-amylase, a target for type-2 diabetes</style></title><secondary-title><style face="normal" font="default" size="100%">Food Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">BDMC</style></keyword><keyword><style  face="normal" font="default" size="100%">Curcuma longa</style></keyword><keyword><style  face="normal" font="default" size="100%">Human pancreatic amylase</style></keyword><keyword><style  face="normal" font="default" size="100%">kinetics</style></keyword><keyword><style  face="normal" font="default" size="100%">Type-2 diabetes</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2012</style></year><pub-dates><date><style  face="normal" font="default" size="100%">DEC</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">4</style></number><publisher><style face="normal" font="default" size="100%">ELSEVIER SCI LTD</style></publisher><pub-location><style face="normal" font="default" size="100%">THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">135</style></volume><pages><style face="normal" font="default" size="100%">2638-2642</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Curcuma longa rhizome is used extensively in culinary preparations in Far East and South-East Asia. Health benefits of curcuminoids from C. longa as antioxidants, anti-cancer and anti-inflammatory molecules have been well documented. We report here for the first time that Bisdemethoxycurcumin (BDMC) from C. longa, acts as an inhibitor to inactivate human pancreatic alpha-amylase, a therapeutic target for oral hypoglycemic agents in type-2 diabetes. Bioactivity guided isolation of rhizome isopropanol extract led to the identification by HPLC and NMR of BDMC as a lead small molecule inhibitor of porcine and human pancreatic alpha-amylase with an IC50 value of 0.026 and 0.025 mM, respectively. Kinetic analysis revealed that using starch as the substrate, HPA exhibited an uncompetitive mode of inhibition with an apparent K-i of 3.0 mu M. The study gains importance as BDMC could be a good drug candidate in development of new inhibitors of HPA and of functional foods for controlling starch digestion in order to reduce post-prandial hyperglycemia. (C) 2012 Elsevier Ltd. All rights reserved.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">4</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">3.334
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Samal, Ramanuj P.</style></author><author><style face="normal" font="default" size="100%">Khedkar, Vijay M.</style></author><author><style face="normal" font="default" size="100%">Pissurlenkar, Raghuvir R. S.</style></author><author><style face="normal" font="default" size="100%">Bwalya, Angela Gono</style></author><author><style face="normal" font="default" size="100%">Tasdemir, Deniz</style></author><author><style face="normal" font="default" size="100%">Joshi, Ramesh A.</style></author><author><style face="normal" font="default" size="100%">Rajamohanan, P. R.</style></author><author><style face="normal" font="default" size="100%">Puranik, Vedavati G.</style></author><author><style face="normal" font="default" size="100%">Coutinho, Evans C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Biology &amp; Drug Design</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">ADMET</style></keyword><keyword><style  face="normal" font="default" size="100%">docking</style></keyword><keyword><style  face="normal" font="default" size="100%">enoyl-ACP reductase</style></keyword><keyword><style  face="normal" font="default" size="100%">FabI</style></keyword><keyword><style  face="normal" font="default" size="100%">hydrogen bonding</style></keyword><keyword><style  face="normal" font="default" size="100%">NMR</style></keyword><keyword><style  face="normal" font="default" size="100%">phenylaminoacetic acid benzylidene hydrazine</style></keyword><keyword><style  face="normal" font="default" size="100%">Plasmodium falciparum</style></keyword><keyword><style  face="normal" font="default" size="100%">Plasmodium falciparum enoyl-ACP reductase</style></keyword><keyword><style  face="normal" font="default" size="100%">QSAR</style></keyword><keyword><style  face="normal" font="default" size="100%">recursive partitioning</style></keyword><keyword><style  face="normal" font="default" size="100%">X-ray diffraction</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2013</style></year><pub-dates><date><style  face="normal" font="default" size="100%">JUN</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">6</style></number><publisher><style face="normal" font="default" size="100%">WILEY-BLACKWELL</style></publisher><pub-location><style face="normal" font="default" size="100%">111 RIVER ST, HOBOKEN 07030-5774, NJ USA</style></pub-location><volume><style face="normal" font="default" size="100%">81</style></volume><pages><style face="normal" font="default" size="100%">715-729</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Recent studies have revealed that plasmodial enoyl-ACP reductase (pfENR, FabI), one of the crucial enzymes in the plasmodial type II fatty acid synthesis II (FAS II) pathway, is a promising target for liver stage malaria infections. Hence, pfENR inhibitors have the potential to be used as causal malarial prophylactic agents. In this study, we report the design, synthesis, structural characterization and evaluation of a new class of pfENR inhibitors. The search for inhibitors began with a virtual screen of the iResearch database by molecular docking. Hits obtained from the virtual screen were ranked according to their Glide score. One hit was selected as a lead and modified to improve its binding to pfENR; from this, a series of phenylamino acetic acid benzylidene hydrazides were designed and synthesized. These molecules were thoroughly characterized by IR, 1H, 13C, 15N, 2D-NMR (COSY, NOESY, 1H-13C, 1H-15N HSQC and HMBC), and X-ray diffraction. NMR studies revealed the existence of conformational/configurational isomers around the amide and imine functionalities. The major species in DMSO solution is the E, E form, which is in dynamic equilibrium with the Z, E isomer. In the solid state, the molecule has a completely extended conformation and forms helical structures that are stabilized by strong hydrogen bond interactions, forming a helical structure stabilized by N-H...O interactions, a feature unique to this class of compounds. Furthermore, detailed investigation of the NMR spectra indicated the presence of a minor impurity in most compounds. The structure of this impurity was deduced as an imidazoline-4-one derivative based on 1H-13C and 1H-15H HMBC spectra and was confirmed from the NOESY spectra. The molecules were screened for in vitro activity against recombinant pfENR enzyme by a spectrophotometric assay. Four molecules, viz. 17, 7, 10, and 12 were found to be active at 7, 8, 10, and 12m concentration, respectively, showing promising pfENR inhibitory potential. A classification model was derived based on a binary QSAR approach termed recursive partitioning (RP) to highlight structural characteristics that could be tuned to improve activity.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">6</style></issue><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">2.507
</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Ingole, Tukaram S.</style></author><author><style face="normal" font="default" size="100%">Vijayadas, Kuruppanthara N.</style></author><author><style face="normal" font="default" size="100%">Chaitanya, K. N.</style></author><author><style face="normal" font="default" size="100%">Kotmale, Amol S.</style></author><author><style face="normal" font="default" size="100%">Gawade, Rupesh L.</style></author><author><style face="normal" font="default" size="100%">Gonnade, Rajesh G.</style></author><author><style face="normal" font="default" size="100%">Rajamohanan, P. R.</style></author><author><style face="normal" font="default" size="100%">Sanjayan, Gangadhar J.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Disruption of native beta-turns: consequence of folding competition between native and orthanilic acid proline-based pseudo beta-turn</style></title><secondary-title><style face="normal" font="default" size="100%">European Journal of Organic Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Conformation analysis</style></keyword><keyword><style  face="normal" font="default" size="100%">hydrogen bonds</style></keyword><keyword><style  face="normal" font="default" size="100%">Peptidomimetics</style></keyword><keyword><style  face="normal" font="default" size="100%">structure elucidation</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2016</style></year><pub-dates><date><style  face="normal" font="default" size="100%">MAR</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">7</style></number><publisher><style face="normal" font="default" size="100%">WILEY-V C H VERLAG GMBH</style></publisher><pub-location><style face="normal" font="default" size="100%">POSTFACH 101161, 69451 WEINHEIM, GERMANY</style></pub-location><pages><style face="normal" font="default" size="100%">1380-1388</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Five tetrapeptides comprising beta-turn-forming elements and a pseudo beta-turn (C9 H-bonding) based on an SAntPro (orthanilic acid - proline) motif were designed and synthesized. Their extensive conformational investigation by single-crystal X-ray crystallography, solution-state 2D NMR spectroscopic, and nOe-restrained MD simulation studies revealed the formation of C14 or C9 folding and disruption of the native beta-turn (C10 H-bonding) architecture. The striking difference between the psi(psi(2)) angle of ``i + 2'' residues of native beta-turn and designed peptides suggest that formation of the native beta-turn is not favored. The results suggest that other turn-forming motifs can dramatically modulate the stability of the native beta-turn structure.&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">7</style></issue><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;</style></custom3><custom4><style face="normal" font="default" size="100%">3.068</style></custom4></record><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Raval, Komal M.</style></author><author><style face="normal" font="default" size="100%">Ghormade, Vandana</style></author><author><style face="normal" font="default" size="100%">Rajamohanan, P. R.</style></author><author><style face="normal" font="default" size="100%">Choudhary, Hansraj</style></author><author><style face="normal" font="default" size="100%">Rudramurthy, Shivaprakash M.</style></author><author><style face="normal" font="default" size="100%">Chakrabarti, Arunaloke</style></author><author><style face="normal" font="default" size="100%">Paknikar, Kishore</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%"> Development of a nano-gold immunodiagnostic assay for rapid on-site detection of invasive aspergillosis </style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Medical Microbiology</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2019</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><volume><style face="normal" font="default" size="100%">68</style></volume><pages><style face="normal" font="default" size="100%">1341-1352</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Introduction. Timely &lt;span class=&quot;hitHilite&quot;&gt;detection&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;invasive&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;aspergillosis&lt;/span&gt; (IA) caused &lt;span class=&quot;hitHilite&quot;&gt;by&lt;/span&gt; fungal pathogens, i.e. Aspergillus fumigatus and Aspergillus flavus, in immunocompromised patients is crucial in preventing &lt;span class=&quot;hitHilite&quot;&gt;high&lt;/span&gt; mortality.&lt;br /&gt;
	&lt;br /&gt;
	Aim. &lt;span class=&quot;hitHilite&quot;&gt;To&lt;/span&gt; develop &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; simple immunoassay &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;detection&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; galactomannan (GM), &lt;span class=&quot;hitHilite&quot;&gt;an&lt;/span&gt; IA biomarker.&lt;br /&gt;
	&lt;br /&gt;
	Methodology. GM from &lt;span class=&quot;hitHilite&quot;&gt;A&lt;/span&gt;. fumigatus and &lt;span class=&quot;hitHilite&quot;&gt;A&lt;/span&gt;. flavus clinical strains was purified and characterized &lt;span class=&quot;hitHilite&quot;&gt;by&lt;/span&gt; X-ray diffraction, IR spectroscopy and C-13/H-1 nuclear magnetic resonance (NMR) &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; polyclonal antibody (pAb) production in rabbits. &lt;span class=&quot;hitHilite&quot;&gt;An&lt;/span&gt; enzyme-linked immunosorbent &lt;span class=&quot;hitHilite&quot;&gt;assay&lt;/span&gt; (ELISA) was standardized using concanavalin &lt;span class=&quot;hitHilite&quot;&gt;A&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;to&lt;/span&gt; capture Aspergillus GM and pAbs &lt;span class=&quot;hitHilite&quot;&gt;to&lt;/span&gt; detect it. Gold nanoparticles (AuNPs) were synthesized and conjugated &lt;span class=&quot;hitHilite&quot;&gt;to&lt;/span&gt; pAbs &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;development&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; dot-blot immunoassay. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; developed dot-blot was evaluated with 109 clinical serum and bronchoalveolar lavage samples.&lt;br /&gt;
	&lt;br /&gt;
	Results. Spectroscopy &lt;span class=&quot;hitHilite&quot;&gt;studies&lt;/span&gt; characterized &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; D-galactofuranosyl groups &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; GM responsible &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; immune response and generation &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; pAbs. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; ELISA employing pAbs showed &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; sensitivity &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 1 ng ml(-1) &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; Aspergillus GM. Furthermore, &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; sensitive, visual, &lt;span class=&quot;hitHilite&quot;&gt;rapid&lt;/span&gt; dot-blot &lt;span class=&quot;hitHilite&quot;&gt;assay&lt;/span&gt; developed &lt;span class=&quot;hitHilite&quot;&gt;by&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; conjugation &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; pAbs &lt;span class=&quot;hitHilite&quot;&gt;to&lt;/span&gt; AuNPs (similar &lt;span class=&quot;hitHilite&quot;&gt;to&lt;/span&gt; 24 +/- 5 nm size, -36 +/- 2 mV zeta potential) had &lt;span class=&quot;hitHilite&quot;&gt;a&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;detection&lt;/span&gt; limit &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 1 pg ml(-1) in serum. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; pAbs interacted with Aspergillus spp. but did not cross-react with other fungal pathogen genera such as Penicillium and Candida. Evaluation &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;the&lt;/span&gt; dot-blot with 109 clinical samples showed &lt;span class=&quot;hitHilite&quot;&gt;high&lt;/span&gt; sensitivity (80%) and specificity (93.2 %), with &lt;span class=&quot;hitHilite&quot;&gt;an&lt;/span&gt; overall &lt;span class=&quot;hitHilite&quot;&gt;assay&lt;/span&gt; accuracy &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; 89%.&lt;br /&gt;
	&lt;br /&gt;
	Conclusion. &lt;span class=&quot;hitHilite&quot;&gt;The&lt;/span&gt; developed &lt;span class=&quot;hitHilite&quot;&gt;nano-gold&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;immunodiagnostic&lt;/span&gt; &lt;span class=&quot;hitHilite&quot;&gt;assay&lt;/span&gt; has immense potential &lt;span class=&quot;hitHilite&quot;&gt;for&lt;/span&gt; practical use in &lt;span class=&quot;hitHilite&quot;&gt;rapid&lt;/span&gt;, specific and sensitive &lt;span class=&quot;hitHilite&quot;&gt;on&lt;/span&gt;-&lt;span class=&quot;hitHilite&quot;&gt;site&lt;/span&gt; diagnosis &lt;span class=&quot;hitHilite&quot;&gt;of&lt;/span&gt; IA, even under resource-limited settings.&lt;/p&gt;
</style></abstract><issue><style face="normal" font="default" size="100%">9</style></issue><work-type><style face="normal" font="default" size="100%">Article</style></work-type><custom3><style face="normal" font="default" size="100%">&lt;p&gt;Foreign&lt;/p&gt;
</style></custom3><custom4><style face="normal" font="default" size="100%">&lt;p&gt;&lt;span class=&quot;LrzXr kno-fv&quot;&gt;2.112&lt;/span&gt;&lt;/p&gt;
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