02858nas a2200265 4500008004100000022001400041245013400055210006900189260000800258300001200266490000800278520193200286653002302218653002602241653002002267653002402287653002602311100002502337700001802362700000502380700002202385700003002407700002802437856012702465 2019 eng d a0014-305700aAromatic polyesters containing pendant azido groups: synthesis, characterization, chemical modification and thermal cross-linking0 aAromatic polyesters containing pendant azido groups synthesis ch cJUL a180-1890 v1163 a

A partially bio-based bisphenol containing pendant azido group viz., 4,4'-(5-azidopentane-2,2-diyl) diphenol (AZBPA) was synthesized starting from 4,4'-bis (4-hydroxyphenyl) pentanoic acid. AZBPA was reacted with isophthaloyl chloride (IPC), terephthaloyl chloride (TPC) and a mixture of IPC/TPC (50:50 mol%) by phase transfer-catalyzed interfacial polycondensation route to obtain aromatic polyesters containing pendant azido groups. Copolyesters containing pendant azido groups were also synthesized by polycondensation of different molar proportions of AZBPA and commercially available 4,4'-(1-phenylethane-1,1-diyl) diphenol (BPA-AP) with IPC. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.85-1.64 dL/g and 58,900-190,400, respectively, indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. X-Ray diffraction analysis showed that (co)polyesters were amorphous in nature. (Co)polyesters were characterized using FT-IR, H-1 NMR spectroscopy, XRD, TGA and DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using copper-catalyzed azide-alkyne cycloaddition (CuAAC) with two alkynes viz., phenyl acetylene (PA) and ethynyl-4-nitrobenzene (ENB). Additionally, (co)polyesters containing pendant azido groups were thermally cross-linked (170 degrees C/12 h) leading to the formation of network structures based on azide to nitrene decomposition and subsequent reactions on polyester backbone. The selected cross-linked polyesters were characterized by stress-strain measurements. The cross-linked polymers exhibited higher tensile strength and Young's modulus and lower % elongation at break compared to corresponding pristine polyesters containing pendant azido groups.

10aAromatic polyester10aChemical modification10aClick chemistry10aPendant azido group10aThermal cross-linking1 aNagane, Samadhan, S.1 aVerma, Savita1 a1 aSane, Prakash, S.1 aDhanmane, Sushilkumar, A.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/aromatic-polyesters-containing-pendant-azido-groups-synthesis-characterization-chemical01841nas a2200277 4500008004100000022001400041245006900055210006600124260000800190300001200198490000800210520104000218653001601258653001501274653001101289653001501300653000801315653000801323100002201331700002601353700001801379700002401397700001801421700002401439856010001463 2019 eng d a0925-838800aMWCNTs-ZnO-SiO2 mesoporous nano-hybrid materials for CO2 capture0 aMWCNTsZnOSiO2 mesoporous nanohybrid materials for CO2 capture cSEP a279-2850 v8003 a

Carbon nanostructures and metal nanoparticles based nanohybrid materials have been established as one of advantageous materials for various applications. Here, we present hydrothermal and sol-gel process at low temperature for the synthesis of (3-Aminopropyl) triethoxysilane (APTES)-ZnO-multi-walled carbon nanotubes (MWCNTs) mesoporous nanohybrid materials. TEM and XPS measurements show that uniform size and quasi-spherical ZnO nanoparticles were anchored to the surface of the MWCNTs. SEM observation exhibits that the aggregation of ZnO nanoparticles is greatly reduced due to the steric repulsion of grafted organic groups. The maximum CO2 adsorption capacity at 273 K was 1.32 mmol/g for MWCNTs-APTES-ZnO-B nanohybrid. An increase in the density of ZnO nanoparticles on the surface of MWCNTs resulted in a higher affinity towards CO2 at low pressure. This work provides new research directions for making further advances toward practical utilization of MWCNTs-based CO2 adsorbents. (C) 2019 Published by Elsevier B.V.

10aCO2 capture10aMesoporous10aMWCNTs10aNanohybrid10aTEM10aXPS1 aJena, Kishore, K.1 aPanda, Amulya, Prasad1 aVerma, Savita1 aMani, Ganesh, Kumar1 aSwain, S., K.1 aAlhassan, Saeed, M. uhttps://library.ncl.res.in/content/mwcnts-zno-sio2-mesoporous-nano-hybrid-materials-co2-capture02623nas a2200265 4500008004100000022001400041245011300055210006900168260000800237300001200245490000700257520172900264653002001993653001702013653001702030653001502047653001702062653003102079100001802110700002202128700002502150700002602175700002802201856012802229 2019 eng d a0887-624X00aThermally crosslinkable and chemically modifiable aromatic polyesters possessing pendant propargyloxy groups0 aThermally crosslinkable and chemically modifiable aromatic polye cMAR a588-5970 v573 a

New aromatic (co)polyesters containing pendant propargyloxy groups were synthesized by phase transfer-catalyzed interfacial polycondensation of 5-(propargyloxy)isophthaloyl chloride (P-IPC) and various compositions of P-IPC and isophthaloyl chloride with bisphenol A. FTIR and NMR spectroscopic data, respectively, revealed successful incorporation of pendant propargyloxy groups into (co)polyesters and formation of (co)polyesters with desired compositions. (Co)polyesters exhibited good solubility in common organic solvents such as chloroform, dichloromethane, and tetrahydrofuran and could be cast into transparent, flexible, and tough films from chloroform solution. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.77-1.33 dL/g and 43,600-118,000 g/mol, respectively, indicating the achievement of reasonably high-molecular weights. The 10% weight loss temperatures of (co)polyesters were in the range 390-420 degrees C, demonstrating their good thermal stability. (Co)polyesters exhibited T-g in the range 146-170 degrees C and T-g values decreased with increase in mol % incorporation of P-IPC. The study of non-isothermal curing by DSC indicated thermal crosslinking of (co)polyesters via propargyloxy groups. The utility of pendant propargyloxy group was demonstrated by post-modification of the selected copolyester with 1-(4-azidobutyl)pyrene, 9-(azidomethyl)anthracene, and azido-terminated poly(ethyleneglycol) monomethyl ether via copper(I)-catalyzed Huisgen 1,3-dipolar cycloaddition reaction. FTIR and H-1 NMR spectra confirmed that click reaction was quantitative. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 588-597

10aClick chemistry10acrosslinking10amodification10apolyesters10apropargyloxy10astep-growth polymerization1 aVerma, Savita1 aMaher, Deepak, M.1 aNagane, Samadhan, S.1 aTawade, Bhausaheb, V.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/thermally-crosslinkable-and-chemically-modifiable-aromatic-polyesters-possessing-pendant02341nas a2200289 4500008004100000022001400041245008700055210006900142260000900211300001400220490000800234520143200242653002101674653001101695653001801706653003301724653001501757100002201772700002001794700002501814700001801839700001801857700002101875700002301896700001701919856011501936 2021 eng d a0011-389100aAntiviral drugs prioritization for COVID-19 management based on rational selection0 aAntiviral drugs prioritization for COVID19 management based on r cMAY  a1464-14700 v1203 a

The SARS-CoV-2 infection has resulted in COVID-19 pandemic worldwide. It has infected around 0.1 billion individuals and caused 2 million fatalities across the globe till mid-January 2021. Drug repurposing has been utilized as the most preferred therapeutic intervention for COVID-19 mitigation due to its necessity and feasibility. To prioritize therapeutic regime against COVID-19, we used 61 antiviral drugs and their combinations. Selected molecules were subjected to virtual screening against: (i) human angiotensin-converting enzyme 2 receptor binding domain (hACE-2) which serves as an anchor for virus attachment and entry, (ii) SARS-CoV-2 RNA dependent RNA polymerase (RdRp) responsible for viral RNA replication, and (iii) SARS-CoV-2 main protease (M-Pro) needed for viral polyprotein slab proteolytic processing. Based on docking score, pharmacodynamic and pharmacokinetic parameters, combinations of Daclatasvir, Elbasvir, Indinavir, Ledipasvir, Paritaprevir and Rilpivirine were analysed further. Our analysis suggested Sofosbuvir in combination with Ledipasvir and Daclatasvir as potential therapeutic agents for SARS-CoV-2. The combined score suggests that these combinations have superior anti-SARS-CoV-2 potential than Remdesivir and other investigational drugs. The present work provides a rationale-based approach to select drugs with possible anti-SARS-CoV-2 activity for further clinical evaluation.

10aDrug repurposing10ahACE-210amain protease10aRNA dependent RNA polymerase10aSARS-CoV-21 aJoshi, Rakesh, S.1 aGiri, Ashok, P.1 aKulkarni, Mahesh, J.1 aGupta, Mahesh1 aVerma, Savita1 aChaudhry, Dhruva1 aDeshmukh, Narendra1 aChugh, Anita uhttps://library.ncl.res.in/content/antiviral-drugs-prioritization-covid-19-management-based-rational-selection02543nas a2200253 4500008004100000022001400041245012700055210006900182260000800251300001200259490000700271520162900278653002701907653002601934653002401960653002501984653002902009100002502038700002202063700001802085700002602103700002802129856013202157 2022 eng d a1060-132500aPendant propargyloxy-functionalized aromatic (co)polycarbonates: synthesis, thermal crosslinking and chemical modification0 aPendant propargyloxyfunctionalized aromatic copolycarbonates syn cNOV a752-7630 v593 a

A bisphenol monomer bearing pendant propargyloxy group viz, 1, 1-bis (4-hydoxyphenyl)-1-(4 `-propargyloxyphenyl) ethane (BPP) was synthesized starting from commercially available 1, 1, 1-tris (4-hydroxyphenyl) ethane (THPE) by mono O-propargylation reaction using propargyl bromide. A new series of pendant propargyloxy-functionalized aromatic (co)polycarbonates was synthesized by low-temperature solution polycondensation of BPP or different molar ratios of BPP and bisphenol-A with triphosgene in dichloromethane in the presence of triethylamine. The formation of reasonably high molecular weight (co)polycarbonates was confirmed by inherent viscosity (0.52-0.83 dL/g) and gel permeation chromatography (M-n 37,000-69,800 g/mol, polystyrene standards) measurements. C-13 NMR spectral studies supported formation of random copolycarbonates in copolymerization of BPP and BPA with triphosgene. The 10% weight loss temperature (T-10) values of (co)polycarbonates, determined by thermogravimetric analysis under nitrogen atmosphere, were in the range 427-438 degrees C indicating their good thermal stability. The glass transition temperature (T-g) values of (co)polycarbonates were observed in the range 147-152 degrees C. The crosslinking ability of (co)polycarbonates involving pendant propargyloxy groups leading to formation of networked structure was evaluated via non-isothermal curing studies by DSC. As a proof-of-concept, the post-modification of a representative polycarbonate bearing pendant propargyloxy groups with 1-octane thiol as a model compound via thiol-yne click reaction was briefly studied.

10aAromatic polycarbonate10aChemical modification10apropargyloxy groups10athermal crosslinking10athiol-yne click reaction1 aNagane, Samadhan, S.1 aMaher, Deepak, M.1 aVerma, Savita1 aTalanikar, Aniket, A.1 aWadgaonkar, Prakash, P. uhttps://library.ncl.res.in/content/pendant-propargyloxy-functionalized-aromatic-copolycarbonates-synthesis-thermal-crosslinking02575nas a2200325 4500008004100000245017700041210006900218260000800287300000800295490000700303520150700310653001401817653001301831653001601844653001501860653001501875653001501890100001901905700002401924700002201948700001701970700002301987700001802010700001802028700001602046700002102062700001802083700002202101856012602123 2023 eng d00aComprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine0 aComprehensive molecular and clinical investigation of approved A cMAR a5150 v113 a

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

10aantiviral10aCOVID-1910adaclatasvir10aledipasvir10aSARS-CoV-210asofosbuvir1 aBansode, Sneha1 aSingh, Pawan, Kumar1 aTellis, Meenakshi1 aChugh, Anita1 aDeshmukh, Narendra1 aGupta, Mahesh1 aVerma, Savita1 aGiri, Ashok1 aKulkarni, Mahesh1 aJoshi, Rakesh1 aChaudhary, Dhruva uhttps://library.ncl.res.in/content/comprehensive-molecular-and-clinical-investigation-approved-anti-hcv-drugs-repurposing