Periodic DFT calculations—review of applications in the pharmaceutical sciences

AH Mazurek, Ł Szeleszczuk, DM Pisklak - Pharmaceutics, 2020 - mdpi.com
In the introduction to this review the complex chemistry of solid-state pharmaceutical
compounds is summarized. It is also explained why the density functional theory (DFT) …

In situ Raman spectroscopy and synchrotron X-ray diffraction studies on maleic acid under high pressure conditions

FM Rufino, DLM Vasconcelos, PTC Freire… - … Acta Part A: Molecular …, 2023 - Elsevier
Maleic acid was studied by Raman spectroscopy and powder synchrotron X-ray diffraction
(XRD) under high pressure conditions by using a diamond anvil cell. The Raman …

Structural features of sulfamethizole and its cocrystals: beauty within

Y Yuan, D Li, C Wang, S Chen, M Kong… - Crystal Growth & …, 2019 - ACS Publications
Sulfamethizole (SMZ) is an antibiotic drug with good solubility but short in vivo half-life. Thus,
reducing the dissolution rate is expected to improve bioavailability and therapeutic activity …

Raman and terahertz spectroscopic characterization of solid-state cocrystal formation within specific active pharmaceutical ingredients

Y Du, J Xue, Z Hong - Current Pharmaceutical Design, 2020 - ingentaconnect.com
Cocrystallization of specific active pharmaceutical ingredients (APIs) in the solid-state phase
is becoming a feasible way to improve their corresponding physicochemical properties and …

Novel Adducts of Acyclovir with 2, 6-Dihydroxybenzoic Acid: Synthesis and Structural, Theoretical, and Spectroscopic Analyses

W Nowak, MR Gołdyn, A Komasa… - Crystal Growth & …, 2023 - ACS Publications
Acyclovir (ACV) cocrystallization experiments using 2, 6-dihydroxybenzoic acid (26DHBA)
as a coformer were performed, and two novel forms of acyclovirium 2, 6-dihydroxybenzoate …

Drug repurposing of the antiviral drug acyclovir: new pharmaceutical salts

P Nunes, PHO Santiago, CCP da Silva, J Ellena - Crystals, 2023 - mdpi.com
Drug repurposing is becoming interesting in terms of offering advantages over the traditional
drug development, once drug discovery is a costly, time-consuming, and highly risky …

A Tetranuclear Ni(II)-Cubane Cluster Molecule Build by Four µ3-O-Methanolate (MeO) Ligands, Externally Cohesive by Four Unprecedented Bridging µ2-N7,O6 …

JC Belmont-Sánchez, D Choquesillo-Lazarte… - Crystals, 2022 - mdpi.com
Metal ion interactions with nuclei acids and their constituents represent a multi-faceted and
growing research field. This contribution deals with molecular recognition between synthetic …

Stanozolol–aromatic carboxylic acid crystalline complexes: flexible tautomeric/ionization states and supramolecular synthons

X Wang, M Kong, D Li, J Fang, Z Deng, H Zhang - CrystEngComm, 2019 - pubs.rsc.org
Stanozolol (STAN) is an androgenic and anabolic steroid medication used for the treatment
of anemia, osteoporosis, and hereditary angioedema. This weakly basic compound …

[PDF][PDF] Drug Repurposing of the Antiviral Drug Acyclovir: New Pharmaceutical Salts. Crystals 2023, 13, 782

P Nunes, PHO Santiago, CCP da Silva, J Ellena - 2023 - academia.edu
Drug repurposing is becoming interesting in terms of offering advantages over the traditional
drug development, once drug discovery is a costly, time-consuming, and highly risky …