10567nas a2200205 4500008004100000245015900041210006900200260000800269490000700277520974600284100002110030700002410051700002410075700002310099700003310122700003210155700002410187700002310211856012710234 2020 eng d00aSynthesis, crystal structure and Hirshfeld surface analysis of the hydrated form of N’, N-(1,4-phenylenebis(methanylylidene) di(iso-nicotinic hydrazide)0 aSynthesis crystal structure and Hirshfeld surface analysis of th cAUG0 v283 a

The title compound, C20H16N6O2 was synthesized by reflux with isonicotinic hydrazide and terephthaldehyde in ethanol solvent with the acidic condition. The single-crystal X-ray structure determination of the title compound, N, N-(1,4-phenylene bis (methanylylidene) di(iso-nicotinic hydrazide), reveals that the molecule crystallizes in center of symmetry with water molecules (Dihydrated form, C20H16N6O2.2H2O) through N-H∙∙∙O and C-H∙∙∙O hydrogen bondings. Further, the crystal structure is stabilized by O-H∙∙∙O and weak C-H∙∙∙N hydrogen bondings with the formation of infinite chain and dimer. Further, surface analysis and fingerprint plot reveal that the significant hydrogen bonding such as H•••O (15.9%) and N•••H (11.4%) interactions play the most crucial role for its molecular packing.

1 aIngle, Kapil, S.1 aMohurle, Smital, A.1 aBairagi, Keshab, M.1 aShaikh, Tabrez, R.1 aVenugopala, Katharigatta, N.1 aChandrashekharappa, Sandeep1 aGonnade, Rajesh, G.1 aNayak, Susanta, K. uhttp://library.ncl.res.in/content/synthesis-crystal-structure-and-hirshfeld-surface-analysis-hydrated-form-n%E2%80%99-n-1402012nas a2200229 4500008004100000245011400041210006900155260000800224300001400232490000700246520121200253100002301465700002401488700002101512700001901533700001701552700001901569700002101588700002401609700002401633856012501657 2022 eng d00aNovel crystal forms of Entresto: a supramolecular complex of trisodium sacubitril/valsartan hemi-pentahydrate0 aNovel crystal forms of Entresto a supramolecular complex of tris cOCT a7387-73930 v243 a

Entresto is a salt-cocrystal supramolecular complex with the chemical name trisodium sacubitril/valsartan hemi-pentahydrate for treating chronic heart failure and was approved by the US FDA in 2015. This multidrug complex was synthesized in our laboratory to investigate its polymorphic behavior. Different crystallization conditions, including various solvent systems, yielded different novel solid forms of Entresto (Form-I to Form-VI), including the reported form. All the novel solids are solvent-dependent and were reproducibly crystallized on a 10 g scale quantity. The 1H NMR spectra confirmed the 1 : 1 stoichiometry of the two drugs, namely, sacubitril and valsartan, in all the solid forms of the crystalline products. Powder X-ray diffraction and DSC analysis of the crystalline solids established that they are distinct crystalline forms. Stability studies under ambient conditions carried out over a one-year period showed higher stability for Form-I and Form-III compared to the other forms, including the innovator crystal form (labelled as Form-II). The novel crystal forms (notably Form-I and Form-III) exhibit higher stability and less hygroscopicity than the reported Form-II.

1 aShaikh, Tabrez, R.1 aGeorge, Christy, P.1 aBhukya, Priyanka1 aShelke, Nikita1 aPawar, Komal1 aGarai, Abhijit1 aDandela, Rambabu1 aGonnade, Rajesh, G.1 aNangia, Ashwini, K. uhttp://library.ncl.res.in/content/novel-crystal-forms-entresto-supramolecular-complex-trisodium-sacubitrilvalsartan-hemi02162nas 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

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 & 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.

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-nsaid02443nas a2200289 4500008004100000022001400041245014900055210006900204260000800273300001500281490000600296520142700302653002001729653002901749653001801778653004201796653001701838100002101855700002401876700001601900700002001916700002301936700002201959700002201981700002102003856012902024 2024 eng d a2365-654900aNew binary adducts of panobinostat with different carboxylic acid based NSAIDs: structural analysis and physicochemical properties investigation0 aNew binary adducts of panobinostat with different carboxylic aci cNOV ae2024035390 v93 a

Adoption of multitarget, cost-effective fixed-dose medication combinations can help lower the pill load without increasing the risk of adverse events. In this study, three new 1:1 drug-drug binary solid forms of panobinostat (PNB) and nonsteroidal anti-inflammatory drugs (NSAIDs) were effectively synthesized by liquid-assisted grinding and slow evaporation crystallization techniques. The obtained solid forms were extensively characterized by various analytical techniques. The structural investigation revealed that all molecular adducts formed salt with a comparable R42\${\textbackslashmathrm{R}}_4<\^>2\$(10) graph set pattern created by heteromeric interactions formed between PNB and corresponding salt formers. To determine the dissolving behavior of the newly developed adducts, solubility tests were performed at various pH levels (pH 1.2 and pH 7), and the results indicated that the solubility of all forms is increased at pH 7.0, particularly PNB.NIF has a solubility of 0.195 mg/mL, which is seven times higher than the parent drug. Furthermore, PXRD was used to assess the stability of the synthesized adduct at varied temperature and humidity levels and it was found that all the adducts are stable. Based on the findings, we hope that the newly found PNB drug-drug binary adducts have possible potential to broaden the use of drug combinations without changing the chemical structures.

10aDrug-drug salts10aHeteromeric interactions10aHydrogen bond10aNon-steroidal anti-inflammatory drugs10aPanobinostat1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aKar, Ananya1 aGiri, Lopamudra1 aShaikh, Tabrez, R.1 aJadab, Madhusmita1 aPal, Satyanarayan1 aDandela, Rambabu uhttp://library.ncl.res.in/content/new-binary-adducts-panobinostat-different-carboxylic-acid-based-nsaids-structural-analysis00843nas a2200241 4500008004100000245010300041210006900144260000900213300001400222490000700236653002900243653001400272653002500286653001500311100002100326700002400347700002300371700002000394700001900414700002000433700002100453856012700474 2024 eng d00aStructural insights into ketanserin salts with aliphatic acids and their physiochemical properties0 aStructural insights into ketanserin salts with aliphatic acids a cNOV  a6260-62680 v2610aPHARMACEUTICAL COCRYSTAL10aSEROTONIN10aSHYDROCHLOROTHIAZIDE10asolubility1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aShaikh, Tabrez, R.1 aBaidya, Debjani1 aShelke, Nikita1 aSanphui, Palash1 aDandela, Rambabu uhttp://library.ncl.res.in/content/structural-insights-ketanserin-salts-aliphatic-acids-and-their-physiochemical-properties