@article {44465,
	title = {Electron transfer rate analysis of a site-specifically wired copper oxidase},
	journal = {Physical Chemistry Chemical Physics},
	volume = {20},
	year = {2018},
	month = {MAR},
	pages = {6159-6166},
	abstract = {Electron transfer kinetic parameters of site-specifically wired copper oxidase were investigated. The enzyme{\textquoteright}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{\textquoteright}s two active sites.},
	doi = {10.1039/c8cp00041g},
	author = {Schlesinger, Orr and Pasi, Mor and Dandela, Rambabu and Meijler, Michael M. and Alfonta, Lital}
}
@article {48747,
	title = {Exploration of different solid variants of the anticancer medication Panobinostat (PNB) with improved physicochemical attributes},
	journal = {Journal of Molecular Structure},
	volume = {1292},
	year = {2023},
	month = {NOV },
	pages = {136086},
	type = {Article},
	abstract = {<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>
},
	keywords = {Hydrogen bond, Molecular adducts, solubility, Solvates},
	issn = {0022-2860},
	doi = {10.1016/j.molstruc.2023.136086},
	author = {Kenguva, Gowtham and Giri, Lopamudra and Rout, Smruti Rekha and Acharya, Achyuta Nanda and Dandela, Rambabu}
}
@article {49376,
	title = {Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID},
	journal = {CrystEngComm},
	volume = {27},
	year = {2024},
	month = {DEC},
	pages = {138-145},
	type = {Article},
	abstract = {<p>
	Milrinone is a bipyridine phosphodiesterase (PDE) inhibitor of the second generation. It{\textquoteright}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{\textquoteright}s solubility, which may have a positive impact on its synergistic cardioprotective effects.</p>
},
	doi = {10.1039/d4ce00990h},
	author = {Kenguva, Gowtham and Rekha Rout, Smruti and Shaikh, Tabrez R. and Baidya, Debjani and Shelke, Nikita and Sanphui, Palash and Dandela, Rambabu}
}
