QSAR Studies
QSAR STUDIES & DESIGNING OF POTENT HETEROCYCLIC COMPOUNDS AS γ SECRETASE INHIBITORS
... (QSAR) studies ware performed on series of structurally similar heterocyclic sulfonamide with enzyme gamma secretase inhibitor ...different QSAR models using V-Life MDS ...Best QSAR models ...
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QSAR Studies on Akt activities of fused bicyclic pyrrolizinones
... QSAR was attempted with steric, topological electronic and parameters along with indicator parameter and activity. The correlations were obtained between activity and various structural parameters. The structural ...
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Synthesis, Screening and QSAR Studies of 2,4-Disubstituted 1,5-Benzodiazepine Derivatives
... The synthesized compounds were screened for antibacterial activity by serial dilution method, compared with ciprofloxacin. All the compounds produced good activity and the compounds P4and P5 were found to be most active. ...
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3D QSAR studies for some pyrazolones against a pathogen
... under studies with their ...semi-empirical studies as descriptors for QSAR studies and correlated these descriptors with activities of the compounds against a certain micro-organism, which has ...
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QSAR studies on bisaryl substituted thiazoles and oxazoles as PPARδ agonists
... QSAR studies are useful tools in the rational search for bioactive ...the QSAR method is the possibility to estimate the characteristics of new chemical compounds without the need to synthesize and ...
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2D & 3D QSAR STUDIES OF BIARYL ANALOGUES OF PA-824 HAVING VARIOUS ETHER LINKERS: AN APPROACH TO DESIGN ANTITUBERCULAR AGENTS
... 3D QSAR model was H_1255 ...3D QSAR studies was used for correlation chemical nature of substituent around the pharmacophore with their observed activity (Figure 3 & ...3D QSAR is shown in ...
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SYNTHESIS DOCKING AND QSAR STUDIES OF QUINOLINE DERIVATIVES
... docking QSAR studies were performed for the designed ...and QSAR studies revealed that the target site for anti-bacterial activity is ATP pocket of betalactam site and BPM-1 and BPM- 2 ...
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QSAR STUDIES ON BENZOXAZOLES AND OXAZOLO PYRIDINES AS ANTIFUNGAL AGENTS
... present QSAR studies have been widely utilized and have become increasingly helpful in understanding many aspects of chemical-biological interaction in drug as well as many other ...
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3D-QSAR Studies of NAIMS Analogs as anti-HIV Agents
... by the way the molecular Þ elds are calculated and by including additional molecular Þ elds, such as lipophilic and hydrogen bond potential. It has several advantages over CoMFA such as greater robustness regarding both ...
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QSAR STUDIES ON NOVEL 1, 4 DIHYDROPYRIDINE DERIVATIVES
... ABSTRACT: QSAR studies on N 3 , N 5 -diphenyl-1, 4- dihydropyridine-3, 5-dicarbohydrazides [2A-2D’] and 2, 6-dimethyl- 1,4-dihydro-pyridine-3, 5-yl-bis[carbonyl-2-(phenyl)]pyrazolidine-3, 5-diones] [3A ...
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Eco-friendly Synthesis of Phthalimide Derivatives, their Analgesic Activity and QSAR Studies
... Phthalimide derivatives syntheses were carried out by eco-friendly microwave irradiation methods where, montmorillonite-KSF was used as the reusable clay catalyst. In the context of green chemistry, among the ...
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QSAR Studies of Lanosterol Synthase Inhibitors as Potential Antihypercholesterolemic Compounds
... The QSAR analysis provides significant structural insight to help the design of novel antihyper cholesterolemic ...best QSAR models to discuss the structural properties significant for the OSC inhibitory ...
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SYNTHESIS, EVALUATION AND QSAR STUDIES OF SOME SUBSTITUTED PYRAZOLE DERIVATIVES
... paper QSAR studies related to some novel substituted pyrazole derivatives are ...(QSAR) studies to find correlation between different calculated molecular descriptor of the compounds and ...
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QSAR STUDIES ON POLYCHLORINATED AROMATIC COMPOUNDS USING TOPOLOGICAL DESCRIPTORS
... and QSAR studies have often been carried out by using regression analysis the biological toxicity are being modeled using a set of molecular ...a QSAR studies on a group of some ...
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QSAR Studies, Design, Synthesis and Antimicrobial Evaluation of Azole Derivatives
... The data for our analysis were obtained from many publications and stored in the ChEMBL database [14]. The detailed structures and the corresponding bioactivities of the compounds and full list of publications are listed ...
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Docking and 3D-QSAR Studies on Some HCV NS5b Inhibitors
... The current work aims at studying some HCV NS5b inhibitors and their interaction with four potential sites (Thumb pocket-I, -II, Palm pocket-I and the active site) using various docking protocols and constructing ...
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QSAR studies of Anthrax Lethal inhibitors through Quantum Chemical Indices
... Bacillus Anthracis is a gram positive, rod shaped spore- forming bacterium that causes infectious disease Anthrax. Hydroxamate analogues are used as inhibitors of the anthrax lethal toxin. QSAR models by stepwise ...
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Pharmacophore modeling and 3D QSAR studies on Chalcones as Trypanosoma cruzi inhibitors
... _____________________________________________________________________________ The pharmacophore modeling is a well established approach to quantitatively explore common chemical features among a considerable number of ...
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Pharmacophore modeling and 3D QSAR studies on flavonoids as α glucosidase inhibitors
... 3-D QSAR model can be useful to rationally design new flavonoid molecules as α-glucosidase inhibitors and also to identify new promising molecules as α-glucosidase inhibitors in large 3-D database of ...
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Prediction of activity of carbonic anhydrase inhibitor drugs based on QSAR studies
... Descriptor selection and model development For suitable descriptor selection, it should be considered the correlation between the calculated structural descriptors and the experimental binding constant values. Multiple ...
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