02497nas a2200289   4500008004100000022001400041245014200055210006900197260000800266300001100274490000900285520150000294653002401794653001801818653003501836653001501871100002101886700002401907700001601931700002001947700002801967700002301995700002002018700001902038700002102057856012902078       2025                        eng d  a0022-286000aSynthesis, characterization and theoretical investigations of the newly developed molecular salts of an anti-psychotic drug (Penfluridol)0 aSynthesis characterization and theoretical investigations of the  cAPR  a1413920 v13283 a<p>
	Penfluridol (PEN) is a clinically relevant antipsychotic medication used to treat schizophrenia; nevertheless, its bioavailability is limited due to its poor solubility. To address this issues, new molecular salts of PEN are being produced utilizing an array of GRAS (Generally Recognised AS Safe) salt formers such as oxalic acid (OXA), malonic acid (MAL), maleic acid (MAE), and an artificial sweetener (saccharin (SAC)). A variety of solid-state analytical techniques were used to identify and characterize the resulting molecular salts. Moreover, PEN and its novel salts' solubility were assessed using high-performance liquid chromatography (HPLC) and the data revealed that among all the adducts PEN.MAL exhibited a significantly higher solubility which is similar to 15 times more than the parent drug PEN. Furthermore, in order to enhance comprehension of the hydrogen bonding interaction, the Hirshfeld surface (HS), frontier molecular orbital (HOMO-LUMO), non-covalent interaction plots (NCIs), and electrostatic potential maps (ESP) investigations are discussed. Additionally, the stability of the synthesized adducts was evaluated over a 2-week period under accelerated humidity (90 % +/- 5 % RH, 40 +/- 1 degrees C) and it was observed that all the adducts demonstrated excellent stability. In light of the aforementioned observations, we expect that the latest discovery will be a superior alternative for refining and strengthening the pharmacological features of PEN.</p>
10aAnti-psychotic drug10aHydrogen bond10aLiquid-assisted grinding (LAG)10asolubility1 aKenguva, Gowtham1 aRout, Smruti, Rekha1 aKar, Ananya1 aGiri, Lopamudra1 aMahapatra, Sanat, Kumar1 aShaikh, Tabrez, R.1 aBaidya, Debjani1 aShelke, Nikita1 aDandela, Rambabu  uhttps://library.ncl.res.in/content/synthesis-characterization-and-theoretical-investigations-newly-developed-molecular-salts