QSAR Studies of Some Synthetic Structurally Related Androstene Derivatives as Anti-Inflammatory Agents
نویسندگان
چکیده
The use of steroids in the acute and emergency conditions of inflammation is well established. Most of the time they are given chronically to the patients with arthritis. The present study focuses on developing substantial quantitative structure activity relationship models of certain steroidal derivatives reported to be as anti-inflammatory agents. The QSAR models of androstene derivatives were developed using ED50, log ED50 and 1/log ED50 values of anti-inflammatory agents. The models developed have shown significant correlation between the antiinflammatory activity and some of the structural parameters. The best fit model has shown r2 of 0.9081, q2 of 0.8310 and F-values of 29.6585.
منابع مشابه
Computational Study of Quinolone Derivatives to Improve their Therapeutic Index as Anti-malaria Agents: QSAR and QSTR
Malaria is a parasitic disease with limited chemotherapy options. Chemotherapy options are limited; moreover, drug resistant frequently occurs. The speed of drug development should be faster to overcome the emerging drug resistance. In the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...
متن کاملComputational Study of Quinolone Derivatives to Improve their Therapeutic Index as Anti-malaria Agents: QSAR and QSTR
Malaria is a parasitic disease with limited chemotherapy options. Chemotherapy options are limited; moreover, drug resistant frequently occurs. The speed of drug development should be faster to overcome the emerging drug resistance. In the current study, a series of quinolone derivatives were subjected to quantitative structure activity relationship to identify the ideal physicochemical charact...
متن کاملStructure Optimization of Neuraminidase Inhibitors as Potential Anti-influenza (H1N1Inhibitors) Agents Using QSAR and Molecular Docking Studies
The urgent need of neuraminidase inhibitors (NI) has provided an impetus for understanding the structure requisite at molecular level. Our search for selective inhibitors of neuraminidase has led to the identification of pharmacophoric requirements at various positions around acyl thiourea pharmacophore. The main objective of present study is to develop selective NI, with least toxicity and dru...
متن کاملMolecular Docking and QSAR Study of 2-Benzoxazolinone, Quinazoline and Diazocoumarin Derivatives as Anti-HIV-1 Agents
A series of 2-benzoxazolinone, diazocoumarin and quinazoline derivatives have been shown to inhibit HIV replication in cell culture. To understand the pharmacophore properties of selected molecules and design new anti-HIV agents, quantitative structure–activity relationship (QSAR) study was developed using a descriptor selection approach based on the stepwise method. Multiple linear regression ...
متن کامل3D QSAR Studies of 1,3,4-oxadiazole derivatives as antimycobacterial agents
Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...
متن کامل