01020nas a2200181   4500008004100000245008000041210006900121260000800190300001400198490000700212520041000219100002100629700001400650700002100664700002500685700001900710856010900729       2018                        eng d00aElectron transfer rate analysis of a site-specifically wired copper oxidase0 aElectron transfer rate analysis of a sitespecifically wired copp  cMAR  a6159-61660 v203 aElectron transfer kinetic parameters of site-specifically wired copper oxidase were investigated. The enzyme's orientation towards the electrode was controlled by incorporation of propargyl-L-lysine as a site-specific anchoring point. Herein, we demonstrate the importance of immobilization orientation and how it affects electron transfer efficiency and kinetics to each of the enzyme's two active sites.1 aSchlesinger, Orr1 aPasi, Mor1 aDandela, Rambabu1 aMeijler, Michael, M.1 aAlfonta, Lital  uhttp://library.ncl.res.in/content/electron-transfer-rate-analysis-site-specifically-wired-copper-oxidase02917nas a2200241   4500008004100000022001400041245013300055210006900188260000900257300001100266490000900277520208400286653001802370653002202388653001502410653001302425100002102438700002002459700002402479700002802503700002102531856012302552       2023                        eng d  a0022-286000aExploration of different solid variants of the anticancer medication Panobinostat (PNB) with improved physicochemical attributes0 aExploration of different solid variants of the anticancer medica  cNOV   a1360860 v12923 a<p>
	Panobinostat (PNB), is a medication used for the treatment of multiple myeloma. It is a BCS Class II drug with strong permeability and poor solubility. Therefore, it is highly desirable to investigate novel PNB variants with improved physiochemical properties. In this regard, several solid forms of PNB have been produced employing mechanochemistry and solution crystallisation techniques using a variety of GRAS (Generally Recognized as Safe) salt formers, notably oxalic acid (OA), fumaric acid (FA), maleic acid (MA), and succinic acid (SA). Powder X-Ray Diffraction (PXRD), Single Crystal X-Ray Diffraction (SCXRD), and thermal analysis such as Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC) were used to characterize all the synthesised molecular adducts. Hirshfeld surfaces and fingerprint plots demonstrate that the molecular entities are stabilized by O &amp; BULL;&amp; BULL;&amp; BULL;H, C &amp; BULL;&amp; BULL;&amp; BULL;H, C &amp; BULL;&amp; BULL;&amp; BULL;C and H &amp; BULL;&amp; BULL;&amp; BULL;H intermolecular interactions. Moreover, the solubility of parent PNB and its molecular adducts in pH 1.2/pH 6.8 was evaluated at room temperature. In every instance, an increase in the solubility of molecular salts relative to the parent medication is seen, notably PNB.MA exhibits enhanced solubility of 0.294 mg/ml, a 73fold increase over the parent PNB. Furthermore, it is observed that this upsurge in solubility of all the forms is static at pH 1.2. A thorough analysis of the recovered residue after solubility showed that most of the molecular adducts were stable at pH 6.8 and did not display any phase change or dissociation (with the exception of PNB.MA), but at pH 1.2 they transferred into a new stable form and extensive analysis confirmed that it converted into PNB.Cl salt. To the best of our knowledge, this is the first report on novel solid forms of PNB with enhanced physicochemical properties which implies that the obtained PNB molecular adduct may help in the development of improved PNB formulations.</p>
10aHydrogen bond10aMolecular adducts10asolubility10aSolvates1 aKenguva, Gowtham1 aGiri, Lopamudra1 aRout, Smruti, Rekha1 aAcharya, Achyuta, Nanda1 aDandela, Rambabu  uhttp://library.ncl.res.in/content/exploration-different-solid-variants-anticancer-medication-panobinostat-pnb-improved02162nas a2200205   4500008004100000245011100041210006900152260000800221300001200229490000700241520142900248100002101677700002401698700002301722700002001745700001901765700002001784700002101804856013101825       2024                        eng d00aExploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID0 aExploring novel cocrystals of milrinone a cardioprotective drug   cDEC  a138-1450 v273 a<p>
	Milrinone is a bipyridine phosphodiesterase (PDE) inhibitor of the second generation. It's a PDE-III antagonist that raises cAMP levels to support heart function and acts as a systemic vasodilator in chronic decongested cardiovascular illness. It is categorised as class II in the Biopharmaceutics Classification System (BCS), indicating that it exhibits poor aqueous solubility and high permeability. Three new cocrystals of the cardioprotective drug milrinone (MR) with two nutraceuticals, e.g. sesamol (SES) and resveratrol (RES), and an anti-inflammatory drug, e.g. niflumic acid (NIF), were successfully synthesised using mechanochemical and solution crystallisation techniques. Thermal analysis (DSC and TGA) and diffraction tools (PXRD and SCXRD) were used to obtain structural insights into all the cocrystals. Their crystal structures indicate that the dimeric interactions in MR are preserved in the crystal structures in addition to carboxylic acid/phenol &amp; ctdot;pyridine heterosynthons. Among the three synthesized molecular solids, MR.SES was more soluble than the native drug. The solubility of the cocrystals was correlated with polar surface contacts, the solubility of the coformer and melting points (inversely). We believe that the new MR.SES cocrystal offers a novel approach to enhance the drug's solubility, which may have a positive impact on its synergistic cardioprotective effects.</p>
1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aShaikh, Tabrez, R.1 aBaidya, Debjani1 aShelke, Nikita1 aSanphui, Palash1 aDandela, Rambabu  uhttp://library.ncl.res.in/content/exploring-novel-cocrystals-milrinone-cardioprotective-drug-combined-nutraceuticals-and-nsaid