02128nas a2200301 4500008004100000022001400041245008500055210006900140260007600209300001200285490000700297520110700304653000601411653000601417653001601423653000601439653003201445653002401477653002701501653001901528100002201547700002701569700003501596700001801631700003401649700002601683856011701709 2008 eng d a1747-027700aAntibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives0 aAntibacterial activity of synthesized 245trisubstituted imidazol aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcSEP a197-2040 v723 a

Some novel chemically synthesized 2,4,5-trisubstituted imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone were screened against eight different human pathogenic bacteria and fungi. Seven compounds were found to be active against different bacteria. These compounds showed variation in activity and were found to be active against Gram-positive as well as Gram-negative bacteria. Compound 4-(4,5-diphenyl-1H-imidazol-2-yl)-phenol, 3d was the only compound which showed activity against Klebsiella pneumoniae while rest of the compounds did not show significant activity against this micro-organism. Minimum inhibitory concentrations of the compounds were in the range of 0.50 to 6.1 mu g/mL and minimum bactericidal concentration ranges from 1.11 to 12.9 mu g/mL. The candidature of active compounds to be an effective and novel drug was examined based on Lipinski's rule of Five which explained ClogP, LogS, H-bond acceptors, H-Bond donors and rotational bonds. Compounds 3a-d and 3f satisfies Lipinski's rule of Five and could be proposed as potent new antibacterial drugs.

10a110a210a2-Diketones10a410a5-trisubstituted imidazoles10aalpha-hydroxyketone10aantibacterial activity10aaryl aldehydes1 aKhan, Mohd, Sajid1 aSiddiqui, Shafi, Ahmad1 aSiddiqui, Mohammad, Shaik Rafi1 aGoswami, Usha1 aSrinivasan, Kumar, Venkatrama1 aKhan, Mohammad, Islam uhttps://library.ncl.res.in/content/antibacterial-activity-synthesized-245-trisubstituted-imidazole-derivatives-002540nas a2200289 4500008004100000022001400041245012800055210006900183260011100252300001200363490000600375520148800381653000601869653000601875653003601881653001201917653002801929653002401957653001901981100002202000700001902022700002102041700002102062700002302083700001702106856012702123 2012 eng d a1573-406400aDesign, synthesis and evaluation of unique 2,4,5-triaryl imidazole derivatives as novel potent aspartic protease inhibitors0 aDesign synthesis and evaluation of unique 245triaryl imidazole d aEXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATESbBENTHAM SCIENCE PUBL LTDcMAY a428-4350 v83 a

The 2,4,5-triaryl imidazole derivatives (API) were designed, screened and characterized kinetically & thermo-dynamically against Pepsin and their activity was also tested on the in silico platform. The docking studies of API with Pepsin show that these are novel and unique inhibitors of Aspartic protease. Drug like properties of these compounds were validated in silico based on Lipinski's rule of Five by calculating ClogP, LogS, H-bond acceptors, H-Bond donors, rotational bonds, PSA, PB and BBB values. The Et/Ki and Et/Km values of API show that they follow the Michaelis-Menten kinetics. The binding of inhibitors with proteases was explained by using Van't Hoff plot and thermodynamic parameters viz. free energy (Delta G), Entropy (Delta S) and Enthalpy (Delta H). The Van't Hoff analysis showed that the value of K-i decreases with increase in temperature and the binding of the inhibitor are entropically driven. API act as new potent aspartic protease inhibitors with K-i, for Pepsin, ranges from 3.7 mu M to 16.7 mu M. Strong hydrophobic groups at C-4 & C-5 position in API favor binding of inhibitors with Pepsin. Experiments also showed that among C-2 aryl substituted imidazole, a 4-substitution on aryl ring is preferred and less polar substituent makes the molecule more active whereas polar substituents at 2-position on C-2 aryl ring makes the molecule less active. The docking studies of API with Pepsin further intensify and validate our results.

10a210a410a5-triaryl imidazole derivatives10adocking10aLipinski's rule of Five10aProtease inhibitors10aThermodynamics1 aKhan, Mohd, Sajid1 aAkhtar, Salman1 aSiddiqui, S., A.1 aSiddiqui, M., S.1 aSrinivasan, K., V.1 aArif, J., M. uhttps://library.ncl.res.in/content/design-synthesis-and-evaluation-unique-245-triaryl-imidazole-derivatives-novel-potent-002314nas a2200217 4500008004100000022001400041245014400055210006900199260009100268300001100359490000600370520141400376100002201790700002301812700001801835700002701853700003101880700003401911700002201945856012901967 2013 eng d a1932-620300aDesign, synthesis, evaluation and thermodynamics of 1-substituted pyridylimidazo[1,5-a]pyridine derivatives as cysteine protease inhibitors0 aDesign synthesis evaluation and thermodynamics of 1substituted p a1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USAbPUBLIC LIBRARY SCIENCEcAUG ae699820 v83 a

Targeting papain family cysteine proteases is one of the novel strategies in the development of chemotherapy for a number of diseases. Novel cysteine protease inhibitors derived from 1-pyridylimidazo[1,5-a]pyridine representing pharmacologically important class of compounds are being reported here for the first time. The derivatives were initially designed and screened in silico by molecular docking studies against papain to explore the possible mode of action. The molecular interaction between the compounds and cysteine protease (papain) was found to be very similar to the interactions observed with the respective epoxide inhibitor (E-64c) of papain. Subsequently, compounds were synthesized to validate their efficacy in wet lab experiments. When characterized kinetically, these compounds show their K-i and IC50 values in the range of 13.75 to 99.30 mu M and 13.40 to 96.50 mu M, respectively. The thermodynamics studies suggest their binding with papain hydrophobically and entropically driven. These inhibitors also inhibit the growth of clinically important different types of Gram positive and Gram negative bacteria having MIC50 values in the range of 0.6-1.4 mu g/ml. Based on Lipinski's rule of Five, we also propose these compounds as potent antibacterial prodrugs. The most active antibacterial compound was found to be 1-(2-pyridyl)-3-(2-hydroxyphenyl)imidazo[1,5-a]pyridine (3a).

1 aKhan, Mohd, Sajid1 aBaig, Mohd, Hassan1 aAhmad, Saheem1 aSiddiqui, Shapi, Ahmad1 aSrivastava, Ashwini, Kumar1 aSrinivasan, Kumar, Venkatrama1 aAnsari, Irfan, A. uhttps://library.ncl.res.in/content/design-synthesis-evaluation-and-thermodynamics-1-substituted-pyridylimidazo15-apyridine-002651nas a2200289 4500008004100000022001400041245007800055210006900133260010600202300001200308490000800320520167200328653001702000653001702017653002302034653001702057653002402074100001502098700001702113700002502130700001702155700002402172700001602196700002102212700002202233856010602255 2016 eng d a1386-142500aBiogenic terbium oxide nanoparticles as the vanguard against osteosarcoma0 aBiogenic terbium oxide nanoparticles as the vanguard against ost aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcNOV a123-1310 v1683 a

The synthesis of inner transition metal nanoparticles via an ecofriendly route is quite difficult. This study, for the first time, reports synthesis of terbium oxide nanoparticles using fungus, Fusarium oxysporum. The biocompatible terbium oxide nanoparticles (Tb2O3 NPs) were synthesized by incubating Tb4O7 with the biomass of fungus F. oxysporum. Multiple physical characterization techniques, such as UV-visible and photoluminescence spectroscopy, TEM, SAED, and zeta-potential were used to confirm the synthesis, purity, optical and surface characteristics, crystallinity, size, shape, distribution, and stability of the nanoemulsion of Tb2O3 NPs. The Tb2O3 NPs were found to inhibit the propagation of MG-63 and Saos-2 cell-lines (IC50 value of 0.102 mu g/mL) and remained non-toxic up to a concentration of 0373 gg/mL toward primary osteoblasts. Cell viability decreased in a concentration-dependent manner upon exposure to 10 nmTb(2)O(3) NPs in the concentration range 0.023-0373 mu g/mL Cell toxicity was evaluated by observing changes in cell morphology, cell viability, oxidative stress parameters, and FACS analysis. Morphological examinations of cells revealed cell shrinkage, nuclear condensation, and formation of apoptotic bodies. The level of ROS within the cells an indicator of oxidative stress was significantly increased. The induction of apoptosis at concentrations <= IC50 was corroborated by 4',6-diamidino-2-phenylindole dihydrochloride (DAPI) staining (DNA damage and nuclear fragmentation). Flow-cytometric studies indicated that the response was dose dependent with a threshold effect. (C) 2016 Elsevier B.V. All rights reserved.

10aBiosynthesis10aCytotoxicity10afusarium oxysporum10aOsteosarcoma10aTb2O3 nanoparticles1 aIram, Sana1 aKhan, Salman1 aAnsary, Abu, Ayoobul1 aArshad, Mohd1 aSiddiqui, Sahabjada1 aAhmad, Ejaz1 aKhan, Rizwan, H.1 aKhan, Mohd, Sajid uhttps://library.ncl.res.in/content/biogenic-terbium-oxide-nanoparticles-vanguard-against-osteosarcoma