title: Environment effect on spectral and charge distribution characteristics of some drugs of folate derivatives.
abstract: Molecular surrounding media as an important factor can effect on the operation of wide variety of drugs. For more study in this paper, spectral properties of Methotrexate and Folinic acid have been studied in various solvents. Our results show that the photo-physical of solute molecules depend strongly on solute-solvent interactions and active groups in their chemical structures. In order to investigate the contribution of specific and nonspecific interactions on the various properties of drug molecules, the linear solvation energy relationships concept is used. Moreover, charge distribution characteristics of used samples with various resonance structures in solvent environments were calculated by means of solvatochromic method. The high value of dipole moments in excited state show that local intramolecular charge transfer can occur by excitation. These results about molecular interactions can be extended to biological systems and can indicate completely the behaviors of Methotrexate and Folinic acid in polar solvents such as water in body system.
authors.affiliation: Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz, Iran. Electronic address: mahsa.sadigh@tabrizu.ac.ir.
authors.forename: M
authors.initials: M
authors.lastname: Khadem Sadigh
authors.affiliation: Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz, Iran.
authors.forename: M S
authors.initials: MS
authors.lastname: Zakerhamidi
authors.affiliation: Department of Chemistry, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, Iran.
authors.forename: S M
authors.initials: SM
authors.lastname: Seyed Ahmadian
authors.affiliation: Department of Medicinal Chemistry, School of Pharmacy, Ardabil University of Medical Sciences (ArUMS), Ardabil, Iran.
authors.forename: M
authors.initials: M
authors.lastname: Johari-Ahar
authors.affiliation: Department of Chemistry, Faculty of Basic Sciences, Azarbaijan Shahid Madani University, Tabriz, Iran.
authors.forename: L
authors.initials: L
authors.lastname: Zare Haghighi
mesh_terms: D004777:Environment; D005492:Folic Acid / Q000737:chemistry*; D002955:Leucovorin / Q000737:chemistry; D008727:Methotrexate / Q000737:chemistry; D008970:Molecular Weight; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D012044:Regression Analysis; D012997:Solvents / Q000737:chemistry; D013050:Spectrometry, Fluorescence; D055672:Static Electricity
chemical_list: D004364:Pharmaceutical Preparations; D012997:Solvents; D005492:Folic Acid; D002955:Leucovorin; D008727:Methotrexate
keywords: Folinic acid; Linear salvation energy relationship; Local intramolecular charge transfer; Methotrexate; Solvent polarity