Download QSAR and Molecular Modeling Studies in Heterocyclic Drugs II by Dimitra Hadjipavlou-Litina (auth.), Satya Prakash Gupta PDF

By Dimitra Hadjipavlou-Litina (auth.), Satya Prakash Gupta (eds.)

D. Hadjipavlou-Litina: QSAR and Molecular Modeling experiences of issue Xa and Thrombin Inhibitors.-

S. Hannongbua: Structural details and Drug-Enzyme interplay of the Non-Nucleoside opposite Transcriptase Inhibitors in keeping with Computational Chemistry Approaches.-

M. Vracko: QSAR procedure in examine of Mutagenicity of fragrant and Heteroaromatic Amines.-

C.-G. Zhan: Modeling response Mechanism of Cocaine Hydrolysis and Rational Drug layout for healing therapy of Cocaine Abuse.-

Y.S. Prabhakar, V.R. Solomon, M.K. Gupta, S.B. Katti: QSAR stories on Thiazolidines: A Biologically Privileged Scaffold.-

S.P. Gupta: QSAR reviews on Calcium Channel Blockers

Show description

Read or Download QSAR and Molecular Modeling Studies in Heterocyclic Drugs II PDF

Best chemistry books

Modern Electrochemistry

This booklet had its nucleus in a few lectures given by means of one ofus (J. O'M. B. ) in a direction on electrochemistry to scholars of power conversion on the Vniversity of Pennsylvania. It used to be there that he met a couple of humans proficient in chemistry, physics, biology, metallurgy, and fabrics technology, all ofwhom desired to recognize anything approximately electrochemistry.

Handbook of Chemical Vapor Deposition, Second Edition : Principles, Technologies and Applications (Materials Science and Process Technology Series)

Flip to this new moment version for an knowing of the newest advances within the chemical vapor deposition (CVD) strategy. CVD know-how has lately grown at a fast cost, and the quantity and scope of its purposes and their influence out there have elevated significantly. The marketplace is now envisioned to be not less than double that of an insignificant seven years in the past while the 1st variation of this ebook used to be released.

Organic Phototransformations in Nonhomogeneous Media

Content material: floor photochemistry : temperature results at the emission of fragrant hydrocarbons adsorbed on silica gel / P. De Mayo, L. V. Natarajan, and W. R. Ware -- Room temperature oxidations, isotopic exchanges, and dehydrogenations over illuminated neat or metal-supporting semiconductor catalysts / Pierre Pichat -- Semiconductor-catalyzed photoreactions of natural compounds / Katsumi Tokumaru, Hirochika Sakuragi, Tatsuya Kanno, Takahide Oguchi, Hiroaki Misawa, Yasuo Shimamura, and Yasunao Kuriyama -- unmarried capability step electrogenerated chemiluminescence : a nonradiative approach for the creation of excited states / William G.

Coordination Chemistry in Non-Aqueous Solutions

Significant realization has been focussed on non-aqueous chemistry within the final decade and this example has arisen doubtless from a attention of the tremendous program of this department of chemistry. inside this box a lot lively paintings has been channelled into the selection of the coordination chemistry of tran­ sition metals in those solvent 8ystems.

Additional resources for QSAR and Molecular Modeling Studies in Heterocyclic Drugs II

Example text

For this series of compounds, the correlation obtained 42 D. Hadjipavlou-Litina Scheme 25 was as shown by Eq. 41. 467 (41) is assigned to take a value of 1 when the configuration is S at the carbon atom marked with an asterisk [∗ ]. It seems that the S configuration is the best in relation to the in vitro activity. 377 A parabolic approach correlating the biological response with the overall lipophilicity is again the best correlation. The indicator I∗ S continues to be important. Dibasic Benzo[b]Thiophene Derivatives A number of recent approaches to the discovery of orally active thrombin inhibitors have their origins in the tripeptide sequence D – Phe – Pro – Arg.

The indicator variable I-IM takes value of 1 for the compounds that contain an an imidazole ring in the core. The indicator variable I-NCORE refers to the presence of an N-substituted core. However, while the former indicates a negative effect of imidazole ring, the latter indicates a positive effect of N-substituted core. No parameterization has been done for the presence of another heterocyclic ring. Scheme 7 Non-Amidine 1,2-Benzamidobenzene Derivatives Masters and his group [82] reported inhibitors of FXa in which they used selected hydrophobic groups for occupying both the S1 and S4 binding domains of the enzyme.

Ellis and co-workers [74] have reported their effort on synthesizing a series of bisbenzamidine isoxazoline derivatives and a series of monobasic substituted biaryl isoxazoline derivatives (9–12). For these compounds, Eq. 9 was derived [72]. In Eq. 807 (9) 1/0 for the presence and absence of a pyridyl ring in the molecule, and IRTETR was an indicator variable for the existence of a tetrazolyl ring in the molecule. The presence of the pyridyl and the tetrazolyl rings accounted for a positive effect.

Download PDF sample

Rated 4.78 of 5 – based on 11 votes