An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
To find out the potential of enantiomeric copper complexes (1S and 1R) as therapeutics, interacti... more To find out the potential of enantiomeric copper complexes (1S and 1R) as therapeutics, interactions studies with three different biomacromolecules (CT-DNA, tRNA and HSA) were carried out by employing various biophysical viz; absorption, fluorescence, circular dichroism, morphological and computational studies. The results revealed an efficient association of complexes 1S and 1R with CT-DNA, tRNA and HSA essentially sustained by non-covalent interactions which were evidenced from Kb and Ksv values. The binding constant values revealed 10-fold greater binding affinity of complexes with tRNA and HSA as compared to CT-DNA; the binding affinity was found in the order tRNA > HSA > CT-DNA. S-enantiomeric complex 1S exhibited higher binding propensity over its R-analog 1R with all three macromolecules. In silico molecular modeling and Hirshfeld studies corroborated well with the spectroscopic results and validated the interaction of complexes 1S and 1R with the biomolecules via hydrogen bonds, hydrophobic and van der Waal interactions. The results revealed that S-enantiomeric complex 1S is a more avid binder towards all three biological targets and holds a great potential to act as a promising stereospecific chemotherapeutic agent.
New RNA targeted ionic NSAID drug conjugates were evaluated for their antiproliferative activity ... more New RNA targeted ionic NSAID drug conjugates were evaluated for their antiproliferative activity against human cancer cell lines.
Evaluation of cytotoxic activity and genotoxicity of structurally well characterized potent cobal... more Evaluation of cytotoxic activity and genotoxicity of structurally well characterized potent cobalt(II) phen-based antitumor drug entities :
New ionic antitumor drug entities [{Cu(DACH) 2 (H 2 O)Cl}.(fluf)], 1 and [{Co(DACH) 2 (H 2 O)Cl}.... more New ionic antitumor drug entities [{Cu(DACH) 2 (H 2 O)Cl}.(fluf)], 1 and [{Co(DACH) 2 (H 2 O)Cl}.(fluf)], 2 where DACH = 1,2-diamminocyclohexane and fluf = flufenamate anion were prepared and characterized by spectroscopic studies and single X-ray crystallography. In order to evaluate the potential of these complexes to act as antitumor drug candidates, in vitro binding studies of 1 and 2 with ct-DNA have been carried out by biophysical methods which revealed electrostatic binding mode of these drug entities with ct-DNA preferably by external surface or groove binding mode contrary to other nonsteroidal anti-inflammatory (NSAIDs) drugs which show intercalative binding. Comparative electron paramagnetic resonance (EPR) titrations were performed which revealed that there was no significant change in EPR spectra of complexes upon incubation with ct-DNA implicating that coordination geometry of metal ions does not alter. Validation of antitumor potential of 1 and 2 was done by cytotoxicity experiments against human cancer cell lines by Sulforhodamine B (SRB) assay. Complex 1 was active against all tested cell lines with an exceptionally low GI 50 value = 2.9 μg/ml against MCF-7 (breast cancer) cell line showing its preferential selectivity. On the contrary, complex 2 showed poor activity against all tested cancer cell lines.
1,2 P.G Student 1,2 Department of Computer Engineering 1,2 L.J. College of Engineering & Technolo... more 1,2 P.G Student 1,2 Department of Computer Engineering 1,2 L.J. College of Engineering & Technology, Ahmedabad, India Abstract— The core concept of data mining is finding frequent pattern and generate association rule based on support and confidence. There are many techniques for mining frequent patterns like apriori, FP growth algorithm, ECLAT, sampling algorithm, partitioning algorithm, Hmine algorithm, direct hash algorithm (DHA) which use hashing technique and double hash technique to find frequent itemset and store data in array structure. Limitation of hashing technique is that hash collision occurs. Direct hash generates primary clusters. To avoid collision open addressing is used. Quadratic probing generates secondary clustering. Both primary and secondary clustering is removed by double hash technique. In this paper method is suggested to improve insertion, deletion and searching in double hash table.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
To find out the potential of enantiomeric copper complexes (1S and 1R) as therapeutics, interacti... more To find out the potential of enantiomeric copper complexes (1S and 1R) as therapeutics, interactions studies with three different biomacromolecules (CT-DNA, tRNA and HSA) were carried out by employing various biophysical viz; absorption, fluorescence, circular dichroism, morphological and computational studies. The results revealed an efficient association of complexes 1S and 1R with CT-DNA, tRNA and HSA essentially sustained by non-covalent interactions which were evidenced from Kb and Ksv values. The binding constant values revealed 10-fold greater binding affinity of complexes with tRNA and HSA as compared to CT-DNA; the binding affinity was found in the order tRNA > HSA > CT-DNA. S-enantiomeric complex 1S exhibited higher binding propensity over its R-analog 1R with all three macromolecules. In silico molecular modeling and Hirshfeld studies corroborated well with the spectroscopic results and validated the interaction of complexes 1S and 1R with the biomolecules via hydrogen bonds, hydrophobic and van der Waal interactions. The results revealed that S-enantiomeric complex 1S is a more avid binder towards all three biological targets and holds a great potential to act as a promising stereospecific chemotherapeutic agent.
New RNA targeted ionic NSAID drug conjugates were evaluated for their antiproliferative activity ... more New RNA targeted ionic NSAID drug conjugates were evaluated for their antiproliferative activity against human cancer cell lines.
Evaluation of cytotoxic activity and genotoxicity of structurally well characterized potent cobal... more Evaluation of cytotoxic activity and genotoxicity of structurally well characterized potent cobalt(II) phen-based antitumor drug entities :
New ionic antitumor drug entities [{Cu(DACH) 2 (H 2 O)Cl}.(fluf)], 1 and [{Co(DACH) 2 (H 2 O)Cl}.... more New ionic antitumor drug entities [{Cu(DACH) 2 (H 2 O)Cl}.(fluf)], 1 and [{Co(DACH) 2 (H 2 O)Cl}.(fluf)], 2 where DACH = 1,2-diamminocyclohexane and fluf = flufenamate anion were prepared and characterized by spectroscopic studies and single X-ray crystallography. In order to evaluate the potential of these complexes to act as antitumor drug candidates, in vitro binding studies of 1 and 2 with ct-DNA have been carried out by biophysical methods which revealed electrostatic binding mode of these drug entities with ct-DNA preferably by external surface or groove binding mode contrary to other nonsteroidal anti-inflammatory (NSAIDs) drugs which show intercalative binding. Comparative electron paramagnetic resonance (EPR) titrations were performed which revealed that there was no significant change in EPR spectra of complexes upon incubation with ct-DNA implicating that coordination geometry of metal ions does not alter. Validation of antitumor potential of 1 and 2 was done by cytotoxicity experiments against human cancer cell lines by Sulforhodamine B (SRB) assay. Complex 1 was active against all tested cell lines with an exceptionally low GI 50 value = 2.9 μg/ml against MCF-7 (breast cancer) cell line showing its preferential selectivity. On the contrary, complex 2 showed poor activity against all tested cancer cell lines.
1,2 P.G Student 1,2 Department of Computer Engineering 1,2 L.J. College of Engineering & Technolo... more 1,2 P.G Student 1,2 Department of Computer Engineering 1,2 L.J. College of Engineering & Technology, Ahmedabad, India Abstract— The core concept of data mining is finding frequent pattern and generate association rule based on support and confidence. There are many techniques for mining frequent patterns like apriori, FP growth algorithm, ECLAT, sampling algorithm, partitioning algorithm, Hmine algorithm, direct hash algorithm (DHA) which use hashing technique and double hash technique to find frequent itemset and store data in array structure. Limitation of hashing technique is that hash collision occurs. Direct hash generates primary clusters. To avoid collision open addressing is used. Quadratic probing generates secondary clustering. Both primary and secondary clustering is removed by double hash technique. In this paper method is suggested to improve insertion, deletion and searching in double hash table.
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