01764nas a2200265 4500008004100000022001400041245010300055210006900158260010600227300001400333490000700347520077400354653002201128653002001150653001401170653002201184100002401206700002801230700001901258700002001277700002201297700002401319700002501343856013001368 2006 eng d a0040-402000aSynthesis of 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans relationships0 aSynthesis of 4aminomethyltetrahydrofuran2carboxylates with 24cis aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcAPR a4110-41190 v623 a

Templated tetrahydrofuran-based gamma-azido esters were prepared with the C-2 and C-4 functionalities in cis and trans relative configurations. This was achieved by ring contraction of the suitably protected 2-O-triflates of pentono-1,5-lactones (D-ribose and L-arabinose) with subsequent introduction of the azide via the 4-O-triflate. Access to a corresponding beta-azido ester was achieved in good yield. Little elimination product was observed by introduction of the azide via the 3-O-triflate. These azido esters are scaffolds. which may be predisposed to adopt secondary structural motifs, for example. for use as peptidomimetics; they may also be utilised for the preparation of stereodiverse compound libraries. (c) 2006 Elsevier Ltd All rights reserved.

10agamma amino acids10aPeptidomimetics10ascaffolds10asugar amino acids1 aEdwards, Alison, A.1 aSanjayan, Gangadhar, J.1 aHachisu, Shuji1 aSoengas, Raquel1 aStewart, Alistair1 aTranter, George, E.1 aFleet, George, W. J. uhttps://library.ncl.res.in/content/synthesis-4-aminomethyl-tetrahydrofuran-2-carboxylates-24-cis-and-24-trans-relationships-001603nas a2200265 4500008004100000022001400041245012300055210006900178260005700247300001200304490000700316520065300323653003100976653002301007653003601030653001701066653001701083653001401100100001701114700002401131700001801155700002201173700001801195856012401213 2010 eng d a1598-503200aTensile properties, cell adhesion, and drug release behavior of chitosan-silver-gelatin nanohybrid films and scaffolds0 aTensile properties cell adhesion and drug release behavior of ch a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcSEP a845-8520 v183 a

Drug-loaded nanohybrid films and porous scaffolds were prepared using chitosan, Ag nanoparticles and gelatin using a solution casting and freeze-drying method, respectively. Gelatin was used to incorporate the cell onto the surface of the scaffolds and the nanohybrid films. 1-[2-hydroxyethyl]-2-methyl-5-nitroimidazole) (Metronidazole (MTZ) was used as a model drug. The small percentage of Ag nanoparticles in the nanohybrid films and scaffolds produced significantly higher cell proliferation and levels of drug release. The tensile properties showed improvement in strength by Ag nanoparticles reinforcement at the expense of elongation.

10acarcinogenic metronidazole10acell proliferation10achitosan-Ag-gelatin nanohybrids10adrug release10anano-hybrids10ascaffolds1 aRana, V., K.1 aKushwaha, Omkar, S.1 aSingh, RajPal1 aMishra, Satyendra1 aHa, Chang-Sik uhttps://library.ncl.res.in/content/tensile-properties-cell-adhesion-and-drug-release-behavior-chitosan-silver-gelatin-002219nas a2200253 4500008004100000022001400041245006500055210006500120260011100185300001200296490000700308520137700315653001401692653001101706653001201717653001401729653001401743653002101757653002201778100003301800700001901833700001501852856009801867 2015 eng d a1386-207300aProtein ligand complex guided approach for virtual screening0 aProtein ligand complex guided approach for virtual screening aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcJAN a577-5900 v183 a

The target ligand association data is a rich source of information which is not exploited enough for drug design efforts in virtual screening. A java based open-source toolkit for Protein Ligand Network Extraction (J-ProLiNE) focused on protein-ligand complex analysis with several features integrated in a distributed computing network has been developed. Sequence alignment and similarity search components have been automated to yield local, global alignment scores along with similarity and distance scores. 10000 proteins with co-crystallized ligands from pdb and MOAD databases were extracted and analyzed for revealing relationships between targets, ligands and scaffolds. Through this analysis, we could generate a protein ligand network to identify the promiscuous and selective scaffolds for multiple classes of proteins targets. Using J-ProLiNE we created a 507 x 507 matrix of protein targets and native ligands belonging to six enzyme classes and analyzed the results to elucidate the protein-protein, protein-ligand and ligand-ligand interactions. In yet another application of the J-ProLiNE software, we were able to process kinase related information stored in US patents to construct disease-gene-ligand-scaffold networks. It is hoped that the studies presented here will enable target ligand knowledge based virtual screening for inhibitor design.

10aComplexes10aligand10aprotein10ascaffolds10asequences10asimilarity score10avirtual screening1 aKarthikeyan, Muthukumarasamy1 aPandit, Deepak1 aVyas, Renu uhttps://library.ncl.res.in/content/protein-ligand-complex-guided-approach-virtual-screening-003539nas a2200289 4500008004100000022001400041245013400055210006900189260000800258300001400266490000700280520258100287653001002868653002102878653001602899653001402915653001602929653002202945653002202967100001802989700002803007700002003035700001503055700001803070700003303088856012803121 2020 eng d a1386-207300aDesign of novel drug-like molecules using informatics rich secondary metabolites analysis of Indian medicinal and aromatic plants0 aDesign of novel druglike molecules using informatics rich second cJAN a1113-11310 v233 a

Background: Several medicinal plants are being used in Indian medicine systems from ancient times. However, in most cases, the specific molecules or the active ingredients responsible for the medicinal or therapeutic properties are not yet known. Objective: This study aimed to report a computational protocol as well as a tool for generating novel potential drug candidates from the bioactive molecules of Indian medicinal and aromatic plants through the chemoinformatics approach. Methods: We built a database of the Indian medicinal and aromatic plants coupled with associated information (plant families, plant parts used for the medicinal purpose, structural information, therapeutic properties, etc.) We also developed a Java-based chemoinformatics open-source tool called DoMINE (Database of Medicinally Important Natural products from plantaE) for the generation of virtual library and screening of novel molecules from known medicinal plant molecules. We employed chemoinformatics approaches to in-silico screened metabolites from 104 Indian medicinal and aromatic plants and designed novel drug-like bioactive molecules. For this purpose, 1665 ring containing molecules were identified by text mining of literature related to the medicinal plant species, which were later used to extract 209 molecular scaffolds. Different scaffolds were further used to build a focused virtual library. Virtual screening was performed with cluster analysis to predict drug-like and lead-like molecules from these plant molecules in the context of drug discovery. The predicted drug-like and lead-like molecules were evaluated using chemoinformatics approaches and statistical parameters, and only the most significant molecules were proposed as the candidate molecules to develop new drugs. Results and Conclusion: The supra network of molecules and scaffolds identifies the relationship between the plant molecules and drugs. Cluster analysis of virtual library molecules showed that novel molecules had more pharmacophoric properties than toxicophoric and chemophoric properties. We also developed the DoMINE toolkit for the advancement of natural product-based drug discovery through chemoinformatics approaches. This study will be useful in developing new drug molecules from the known medicinal plant molecules. Hence, this work will encourage experimental organic chemists to synthesize these molecules based on the predicted values. These synthesized molecules need to be subjected to biological screening to identify potential molecules for drug discovery research.

10aDrugs10amedicinal plants10aMetabolites10ascaffolds10atext mining10avirtual libraries10avirtual screening1 aKarade, Divya1 aVijayasarathi, Durairaj1 aKadoo, Narendra1 aVyas, Renu1 aIngle, P., K.1 aKarthikeyan, Muthukumarasamy uhttps://library.ncl.res.in/content/design-novel-drug-molecules-using-informatics-rich-secondary-metabolites-analysis-indian03031nas a2200289 4500008004100000022001400041245012300055210006900178260000800247300001100255490000800266520207100274653001802345653002302363653001502386653002002401653001402421653002302435100002502458700001702483700002202500700001902522700002202541700002802563700001802591856013202609 2020 eng d a0928-493100aPoly (vinylpyrrolidone)-iodine engineered poly (epsilon-caprolactone) nanofibers as potential wound dressing materials0 aPoly vinylpyrrolidoneiodine engineered poly epsiloncaprolactone  cMAY a1107310 v1103 a

Facilitating the process of wound healing and effective treatment of wounds remains a serious challenge in healthcare. Wound dressing materials play a major role in the protection of wounds and in accelerating the natural healing process. In the present study, novel core/shell (c/s) nanofibrous mats of poly(vinyl pyrrolidone)-iodine (PVPI) and polycaprolactone (PCL) were fabricated using a co-axial electrospinning process followed by their surface modification with poly-L-lysine. The developed nanofibrous mats were extensively characterized for their physicochemical properties using various analytical techniques. The core/shell structure of the PVP-I/PCL nanofibers was confirmed using TEM analysis. The PVP-I release studies showed an initial burst phase followed by a sustained release pattern of PVP-I over a period of 30 days. The developed nanofibers exhibited higher BSA and fibrinogen adsorption as compared to pristine PCL. Cytotoxicity studies using MTT assay demonstrated that the PVP-I/PCL (c/s) nanofibers were cytocompatible at optimized PVP-I concentration (3 wt%). The PCL-poly-L-lysine and PVP-I/PCL-poly-L-lysine nanofibers exhibited higher cell viability (24.2% and 21.4% higher at day 7) when compared to uncoated PCL and PVP-I/PCL nanofibers. The PVP-I/PCL nanofibers showed excellent antimicrobial activity against both Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria. The inflammatory response of Mouse RAW 264.7 macrophage cells towards the nanofibers was studied using RTPCR. It revealed that the pro-inflammatory cytokines (TNF-alpha and IL-1 beta) were significantly upregulated on PCL nanofibers, while their expression was comparatively lower on poly-L-lysine coated PCL or PVP-I/PCL(c/s) nanofibers. Overall, the study highlights the ability of poly-L-lysine coated PVP-I/PCL (c/s) nanofibers as potential wound dressing materials effectively facilitating the early stage wound healing and repair process by virtue of their selective modulation of inflammation, cell adhesion and antimicrobial properties.

10abiodegradable10aControlled release10aCore/shell10aelectrospinning10ascaffolds10atissue engineering1 aShitole, Ajinkya, A.1 aRaut, Piyush1 aGiram, Prabhanjan1 aRade, Priyanka1 aKhandwekar, Anand1 aGarnaik, Baijayantimala1 aSharma, Neeti uhttps://library.ncl.res.in/content/poly-vinylpyrrolidone-iodine-engineered-poly-epsilon-caprolactone-nanofibers-potential-wound02357nas a2200217 4500008004100000022001400041245006200055210006200117260000800179300001200187490000800199520169200207653001801899653002001917653001901937653002801956653001401984100002301998700002402021856009402045 2021 eng d a0957-582000aHighly efficient method of utilizing waste silica hazards0 aHighly efficient method of utilizing waste silica hazards cSEP a239-2480 v1533 aSilica gels are the significant commodity solid waste produced by organic laboratories and pharmaceutic industries. Although use of silica gels is continuously growing, the proper methods of re-utilizing silica waste are yet limited. Hence, it demands a non-traditional approach to transform these silica waste into some other useful products apart from using them as a well-known road construction materials. Hereby, we report the fabrication and applications of monolithic polymer-silica composites by ice-templating technique from laboratory waste silica-gels, using green approach. To the best of our knowledge, the fabrication of organic-inorganic hybrid sponges from the particles of hundreds of microns is not reported to date. Scaffolds S-60, S-120, S-180, and S-300, were prepared from laboratory discarded silica gels. The morphological, physicochemical, flame-retardant, and liquid absorbent properties of these self-standing scaffolds were analyzed. Results showed that the incorporation of silica particles in the scaffolds turned them into a flame-retardant sponge. These properties make the sponges ideal for making non-flammable cushions, applicable in automobiles, aircrafts, chemical laboratories, hospitals, and other areas of applications. Due to the large porous structures, these scaffolds possess excellent absorption properties and may absorb almost every kind of liquid ranging from oils to acids. Therefore, these scaffolds are also a remarkable absorber for oils and hazardous liquids spillage, such as acids, and can be used as foam for chemical packing applications. (C) 2021 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.10aAcid absorber10aFlame-retardant10aIce-templating10aLaboratory silica waste10ascaffolds1 aSingh, Anup, Kumar1 aSudhakar, Vediappan uhttps://library.ncl.res.in/content/highly-efficient-method-utilizing-waste-silica-hazards02258nas a2200277 4500008004100000022001400041245009400055210006900149260000800218300000800226490000800234520130900242653003301551653001301584653001201597653003001609653001401639100003801653700002701691700002301718700003701741700002401778700002701802700003401829856011701863 2025 eng d a0175-759800aLow-cost gelatin/collagen scaffolds for bacterial growth in bioreactors for biotechnology0 aLowcost gelatincollagen scaffolds for bacterial growth in biorea cMAY a1130 v1093 a

A wide array of pharmaceutical and industrial products available in today's market stems from bioreactors. Meeting the escalating demand for these products necessitates significant enhancements in biotechnological processes. This study focuses on developing cost-effective scaffolds designed explicitly for use within bioreactors, employing commonly used polymers such as gelatin and collagen. Bacterial proliferation assays involving Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa were conducted to assess the effectiveness of these scaffolds. The scaffolds were produced by electrospinning polymeric solutions with varying concentrations of gelatin and collagen and were characterized using scanning electron microscopy, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Results revealed that scaffolds with 15% gelatin increased the 24-h proliferation of S. aureus, P. aeruginosa, and E. coli by 52%, 35%, and 20%, respectively. In the case of E. coli, scaffolds with lower gelatin concentrations (1-10%) were more effective, leading to 35-55% proliferation growth. These findings highlight the potential application of gelatin/collagen scaffolds in fabricating industrial products derived from these bacteria.

10aBacterial cell proliferation10acollagen10agelatin10aPolymeric electrospinning10ascaffolds1 aPompa-Monroy, Daniella, Alejandra1 aVera-Graziano, Ricardo1 aDastager, Syed, G.1 aPerez-Gonzalez, Graciela, Lizeth1 aBogdanchikova, Nina1 aIglesias, Ana, Leticia1 aVillarreal-Gomez, Luis, Jesus uhttps://library.ncl.res.in/content/low-cost-gelatincollagen-scaffolds-bacterial-growth-bioreactors-biotechnology