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Designing A Lead (Drug)Molecule To Block The Dna Binding Site Of Cancer-Causing E2F3 Transcription Factor

by Muzammal Hussain | Dr.Aqeel Javeed | Dr.Muhammad | Prof.Dr.Muhammad Ashraf.

Material type: book Book; Format: print Publisher: 2009Dissertation note: As transcriptional factors are the current area of concern in novel anticancer drug designing, this study was designed to develop a suitable drug (lead) molecule to block the DNA-binding site of cancer-causing E2F3 transcription factor (overexpressed in prostate, lung, bladder cancers) by using computer-aided drug design approach and implementing homology modeling, molecular docking and virtual high-throughput screening techniques. A reasonable 3-dimensional structure model of E2F3 transcription factor was generated by following homology modeling technique and using SWISS-MODEL server. The stereochemical evaluation of the generated model was carried out by using the program PROCHECK. The active site residues of the DNA-binding domain that make critical contacts within the major groove of DNA were determined by analyzing the crystal structure of the template (E2F4). Then, by using this structure model a chemical database (containing 3D structures of available chemical compounds) ZINC was virtually screened: only those molecules having molecular weight between 300 to 350, neutral charge, hydrogen bond donors 0/1, hydrogen bond acceptors 3/5, rotatable bonds 2/7 and a value of xLogP between -2 and 4, were taken into account. The compounds yielded by this database filtration step were then subjected to 10 run docking studies with the program AutoDock 4.02 to search for the suitable hits. This step resulted in 31 hits. From these hits the compounds with binding energy lower than -3.5 Kcal/mol and showing maximum hydrogen bonding interaction with active site were further selected. This step returned 6 compounds which were further evaluated by giving 30 runs of docking in the sense to improve the interaction with the active site residues (hydrogen bonding) and binding energy. 3 compounds with binding energy less than - 4.0 Kcal/mol were further subjected to visual inspection in order to evaluate their binding poses at the active site. One was eliminated and the remaining two were further subject to 50 docking runs see any improvement in ener4gy. One of the them showed a little improvement in biding energy, however, both were suggested as suitable ,leads, as the difference in their binding energies was very small and both were making equal number of hydrogen bonds with the DNA binding site of target F2F3 Availability: Items available for loan: UVAS Library [Call number: 1100,T] (1).

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Chemical Equivalence Of Different Brands Of Amoxicillin Trihydrate And Its Minimum Inhibitory Concentration

by Rana Adnan Ali | Prof.Dr.Muhammad Ashraf | Dr aftab Ahmad | Dr.Muhammad Adil Rasheed.

Material type: book Book; Format: print Publisher: 2011Dissertation note: This project was designed to study the chemical equivalence of different brands of amoxicillin trihydrate (long acting and short acting) approved by the ministry of health and available in the market for veterinary use. Amoxicillin was measured by HPLC method developed and standardized in the laboratory. Limit of detection (LOD) and limit of quantification (LOQ) of the amoxicillin trihydrate was determined. Solutions of different concentrations were prepared from amoxicillin trihydrate reference standard for the determination of LOD. and were protected from light and stored at 2-8 oC until used. The LOD calculated by us was 0.100 (µg / ml) and LOQ was 0.5 (µg / ml). Correlation Coefficient should be ? 0.99 and the result obtained by the data was 0.99984050. Chemical equivalence of all brands was determined by using HPLC systems (Shimadzu & Agilent). Concentrations for reference standard (50, 25 and 10 ?g /ml ) and for each brand (Alomox LA, Amovet LA, Farmox LA, Novamox LA, Trioxyl LA, Amoxi-vet, Colimox, and Colimoxin) were used. All the results obtained showed that maximum percentage of assay obtained among long acting was of the brand Farmox LA (101 %) and in case of short acting was of Amoxi-vet (101%). Minimum percentage of assay among long acting was of brand Amovet LA (92 %) and in case of short acting was of Colimox (96%). MIC of amoxicillin against E.coli and Staphylococcus was determined by micro broth dilution test. According to our results 73.33 % E.coli were susceptible and 26.67% were resistant to the amoxicillin trihydrate. Our results showed that 86.67% Staphylococcus were susceptible and 13.33% were resistant to Amoxicillin Trihydrate (Reference Standard). It showed that this antibiotic is still very effective against the diseases produced by the Escherichia.coli and Staphylococcus aureus. Availability: Items available for loan: UVAS Library [Call number: 1249,T] (1).

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