A method permits semiquantitative estimation of partitioning of solutes between pairs of media. The organic solvent-water partition coefficients P are calculated. For Fe4S4Cysn, the organic solvent–water partition coefficients for 1-octanol Po, cyclohexane Pch and chloroform Pcf decrease 4.46, 6.25 and 4.60 per Cys, respectively. Po are in line with CDHI calculations, and Pch–cf, with calculati...

A physical model of electronic effects in the QSAR of benzene derivatives, together with a regression technique for finding predictive equations, is presented. The model is simple, based on the quantum theoretic description of the benzene molecule, and accounts for the variance in activity of hallucinogenic phenylalkylamines as well as a classical description in terms of electronic (atomic char...

The structural requirements for the inhibitor activity of various furan carboxanilide derivatives against succinate dehydrogenase complex (SDC) activity in mitochondria of either wild or mutant strains of Ustilago maydis were investigated with the aid of Hansch QSAR analysis. It has been found that the inhibitor activity against both types of enzymes is best related to the ??? or ??M of th...

Within the recently launched the spectral-structure activity relationship (S-SAR) analysis, the vectorial anionic-cationic model of a generic ionic liquid is proposed, along with the associated algebraic correlation factor in terms of the measured and predicted activity norms. The reliability of the present scheme is tested by assessing the Hansch factors, i.e. lipophylicity, polarizability and...

the use of quantitative structure–activity relationships, since its advent, has becomeincreasingly helpful in understanding many aspects of biochemical interactions in drug research.this approach was utilized to explain the relationship of structure with biological activity ofantibacterial. for the development of new fungicides against, the quantitative structural–activityrelationship (qsar) an...

Penyakit Parkinson adalah penyakit yang prevalensinya terus meningkat seiring peningkatan usia harapan hidup. Penemuan obat baru memiliki aktivitas lebih kuat dengan resiko efek samping rendah masih menjadi tantangan tersendiri. Senyawa turunan 4-(3-nitrophenyl)-thiazol-2-ylhydrazone diketahui aktif sebagai inhibitor monoamin oxidase B (MAO-B). MAO-B merupakan target kerja penting dalam pengoba...

the structural requirements for the inhibitor activity of various furan carboxanilide derivatives against succinate dehydrogenase complex (sdc) activity in mitochondria of either wild or mutant strains of ustilago maydis were investigated with the aid of hansch qsar analysis. it has been found that the inhibitor activity against both types of enzymes is best related to the ??? or ??m of the sub...

To relate structure and chromatographic retention an approach is needed that lacks the rigour of thermodynamics but which provides otherwise inaccessible information. Such an approach is a combination of detailed models with certain thermodynamic concepts. Linear free-energy relationships (LFER) may be regarded as linear relationships between the logarithms of the rate or equilibria constants f...