2D and 3D QSAR
METAPHORICAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (2D & 3D QSAR) ANALYSIS OF TYLOPHORINE DERIVATIVES AS EFFICACIOUS IN ANTIMALARIAL DRUG DESIGN
... CONCLUSION: 2D QSAR studies revealed that the carbon chains, along with aromatic features substituted with electronegative groups are influential for biological ...the 3D-QSAR analysis will ...
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2D and 3D QSAR of Benzimidazole Analogues as Novel HIV-1 Non Nucleoside Reverse Transcriptase Inhibitors
... predictive QSAR model validation was carried out for which the entire data set was divided into Training and test set using manual selection ...For 2D QSAR 17 molecules were considered in the ...
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2D and 3D QSAR Studies of Saponin Analogues as Antifungal Agents against Candida albicans
... significant 2D/3D-QSAR models were generated with the purpose of deriving structural requirements for the inhibitory activities of saponin analogues against Candida ...best 2D-QSAR ...
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Accessing the Anti-Proliferating Activity of Tankyrase-2 Inhibitors via 2D, 3D-QSAR and Molecular Docking: Assessment of Structure Activity Relationships
... 2009). 2D and 3D-QSAR models help to understand the non-bonding interaction characteristics between the drug molecule and active site of the target site (Li et ...with QSAR, they can provide ...
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2D & 3D QSAR STUDIES OF BIARYL ANALOGUES OF PA-824 HAVING VARIOUS ETHER LINKERS: AN APPROACH TO DESIGN ANTITUBERCULAR AGENTS
... The effect of PA-824 on the respiratory complex under hypoxic non-replicating conditions was also manifested in a rapid drop in intracellular ATP levels, again similar to that observed by cyanide treatment. Thus, ...
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2D and 3D QSAR Analysis of some 1, 3 disubstituted Urea Derivatives for Antiproliferative Activity
... The 2D and 3D quantitative structure activity relationship study was performed on a series of some 1,3-disubstituted urea derivatives possessing antiproliferative activity for establishing quantitative ...
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2D AND 3D QSAR STUDIES OF INDOLIZINO [6, 7-B] INDOLE DERIVATIVES AS TOPOISOMERASE I AND II DUAL INHIBITORS
... such QSAR tools, biological activities of the untested molecules can be predicted and the structural changes required in the existing compounds can be predicted to afford novel molecules with better ...of ...
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2D and 3D QSAR Analysis of some novel 2 {[2 (1H imidazol 1 yl)ethyl]sulfanyl} 1H benzimidazole derivatives
... derive QSAR models, which were further evaluated for statistical significance and predictive power by internal and external ...The QSAR model indicates that the descriptors (chiV1,chi3Cluster, ...
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← Return to Article Details A 2D/3D-QSAR STUDY ON BIOLOGICAL ACTIVITIES OF 1,2-ETHYLENDIAMINE DERIVATIVES AS ANTI-TUBERCULOSIS DRUGS
... In this work quantitative structure-activity relationship (QSAR) study has been done on 1,2-ethylenediamine derivatives as anti-tuberculosis drugs. Genetic algorithm (GA), artificial neural network (ANN), multiple ...
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Comparative qsar analysis of histone deacetylase 6 (hdac6) inhibitors as anti cancer agents
... properties. QSAR provides drug designers with information that might be of use to improve the efficacy of ...neighbour, 3D methods like Comparative molecular field analysis (COMFA) and comparative molecular ...
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2D & 3D QSAR AND DRUG DESIGNING OF PHENOTHIAZINE DERIVATIVES AS POTENT ANTITUBERCULAR AGENTS
... to 2D and 3D quantitative structure-activity relationship (QSAR) ...for 2D QSAR was obtained using partial least square regression method coupled with stepwise forward-backward method ...
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Hologram quantitative structure–activity relationship and comparative molecular field analysis studies within a series of tricyclic phthalimide HIV-1 integrase inhibitors
... Abstract: Acquired immunodeficiency syndrome is a public health problem worldwide caused by the Human immunodeficiency virus (HIV). Treatment with antiretroviral drugs is the best option for viral suppression, reducing ...
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2D QSAR of arylpiperazines as 5-HT1A receptor agonists
... must. QSAR studies on the arylpiperazines have been reported in the ...both 2D QSAR as well as 3D QSAR studies. The 2D QSAR studies reported for the arylpiperazines 18 ...
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3D QSAR ANALYSIS ON OXADIAZOLE DERIVATIVES AS ANTICANCER AGENTS
... Molecular modeling and PLS studies were performed on HCL computer having genuine Intel Pentium Dual Core Processor and Windows XP operating system using the software Molecular Design Suite (MDS). Structures were drawn ...
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Quantitative structure activity relationship analysis of some 2 substituted halogenbenzimidazoles analogues using computer aided drug designing technique
... study QSAR analysis of a series of substituted 2-polyfluoroalkyl and 2-Nitrobenzylsulphanyl benzimidazoles was performed using V-LIFE MDS ...software 2D QSAR models were developed using partial least ...
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2D QSAR ANALYSIS OF PHTHALIMIDE DERIVATIVES AS POTENT HYPOGLYCEMIC AGENTS
... The r 2 and r (CV) 2 values of PCR and PLS models clearly indicate the predictive ability of these models. The QSAR studies reveals that the derivative no. 28 would be most active for hypoglycemic activity with ...
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Automatic generation of alignments for 3D QSAR analyses
... a QSAR analysis of 124 structurally diverse antibacterial phenolics where the FBSS alignments were noticeably different from manual fitting, whilst demonstrating superior predictive ability [37]; further such ...
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2D to 3D Video COnversion
... any 3D system is the 3D content ...generate 3D model ...a 2D function that gives the depth (with respect to the viewpoint) of an object point as a function of the image ...generate 3D ...
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2D QSAR Study of Indole Derivatives for Anti Microbial Study
... the QSAR study consist of mathematical equations which relate the chemical structure of compounds to a wide variety of their physical, chemical, electronic and biological ...
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3d qsar and molecular docking studies on anilino pyrimidine and anilino quinazolines as kinase inhibitors
... anilino pyrimidine and anilino quinazoline derivatives to inhibit the glycogen synthase kinase (GSK 3β) and EGFR tyrosine kinase respectively. The selective glycogen synthase kinase is an important for improved ...
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