• YAKHAK HOEJI
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• v.38 no.6
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• pp.721-724
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• 1994

According to computer graphics/Grid search analysis, ${\beta}-keto$ carboxylic acid of nalidixic acid which has an antibacterial activity as DNA-gyrase inhibitor has been known to have got four different conformational energy values. In orders, the energy value of conformation A,B,C and D was -6.603, -4.114, -1.766 and 7.327 kcal/mol. The difference of energy value between conformation A and D was 13.9 kcal/mol. Usually conformation C was used in literature. However, it had a energy value of -1.766 kcal/mol as the result of the analysis which is about 5 kcal/mol higher than the most stable conformation A. Therefore, conformation A is expected to be more stable than conformation C.

• Animal Bioscience
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• v.35 no.4
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• pp.517-526
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• 2022

Objective: The growth differentiation factor 8 (GDF8) gene plays a key role in bone formation, resorption, and skeletal muscle development in mammals. Here, we studied the genetic variants of GDF8 and their contribution to body conformation traits in Chinese Dabieshan cattle. Methods: Single nucleotide polymorphisms (SNPs) were identified in the bovine GDF8 gene by DNA sequencing. Phylogenetic analysis, motif analysis, and genetic diversity analysis were conducted using bioinformatics software. Association analysis between five SNPs, haplotype combinations, and body conformation traits was conducted in 380 individuals. Results: The GDF8 was highly conserved in seven species, and the GDF8 sequence of cattle was most similar to the sequences of sheep and goat based on the phylogenetic analysis. The motif analysis showed that there were 12 significant motifs in GDF8. Genetic diversity analysis indicated that the polymorphism information content of the five studied SNPs was within 0.25 to 0.5. Haplotype analysis revealed a total of 12 different haplotypes and those with a frequency of <0.05 were excluded. Linkage disequilibrium analysis showed a strong linkage (r²>0.330) between the following SNPs: g.5070C>A, g.5076T>C, and g.5148A>C. Association analysis indicated these five SNPs were associated with some of the body conformation traits (p<0.05), and the animals with haplotype combination H1H1 (-GGGG CCTTAA-) had greater wither height, hip height, heart girth, abdominal girth, and pin bone width than the other (p<0.05) Dabieshan cattle. Conclusion: Overall, our results indicate that the genetic variants of GDF8 affected the body conformation traits of Chinese Dabieshan cattle, and the GDF8 gene could make a strong candidate gene in Dabieshan cattle breeding programs.

• Bulletin of the Korean Chemical Society
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• v.29 no.9
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• pp.1678-1684
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• 2008

• Archives of Pharmacal Research
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• v.13 no.1
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• pp.43-50
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• 1990

Conformational free energy calculations using an empirical potential function (ECEPP/2) and hydration shell model were carried out on the four-4-aminodiphenyl sulfone analogues of 4, 4'-diamino-2' methyldiphenyl sulfone, 4, 2', 4-triaminodiphenyl sulfone, 4, 4'-diaminodiphenyl sulfone, and 4-aminodiphenyl sulfone as antibacterial agents on Mycobacterium lufu. The conformational energy was minimized from starting conformations which included possible combinations of torsion angles in the molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecule in aqueous solution, the contributions of water-accessible volume and the hydration free energy of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of four analogues with their antibacterial activities, it is known that the conformation and the hydrophobicity of sulfonyl group and its adjacent carbon atom in each compound are the essential factors to show the strong antibacterial activity.

• Bulletin of the Korean Chemical Society
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• v.29 no.7
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• pp.1369-1373
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• 2008

A stable twist boat conformation of thiane S-oxide 1a in solid state and in solution was unambiguously determined by single crystal X-ray crystallography and solution NMR analyses. On the contrary, the thiane Sdioxide 2 which was obtained from the oxidation of corresponding thiane S-oxide 1a was confirmed to adopt a regular chair conformation.

• Bulletin of the Korean Chemical Society
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• v.12 no.2
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• pp.224-227
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• 1991

The "frozen-out" $^{13}C-NMR$ spectrum of cyclooctanone conformer was detected at $-150^{\circ}$ and is reported for the first time. The stable conformation of cyclooctanone deduced by $^{13}C-NMR$ measurements was a unsymmetrical boat-chair conformation.

• Asian-Australasian Journal of Animal Sciences
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• v.28 no.3
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• pp.311-317
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• 2015

Phenotypic characterization and body biometric in 13 traits (height at withers, body length, chest girth, paunch girth, ear length, tail length, length of tail up to switch, face length, face width, horn length, circumference of horn at base, distances between pin bone and hip bone) were recorded in 233 adult Gojri buffaloes from Punjab and Himachal Pradesh states of India. Traits were analysed by using varimax rotated principal component analysis (PCA) with Kaiser Normalization to explain body conformation. PCA revealed four components which explained about 70.9% of the total variation. First component described the general body conformation and explained 31.5% of total variation. It was represented by significant positive high loading of height at wither, body length, heart girth, face length and face width. The communality ranged from 0.83 (hip bone distance) to 0.45 (horn length) and unique factors ranged from 0.16 to 0.55 for all these 13 different biometric traits. Present study suggests that first principal component can be used in the evaluation and comparison of body conformation in buffaloes and thus provides an opportunity to distinguish between early and late maturing to adult, based on a small group of biometric traits to explain body conformation in adult buffaloes.

• YAKHAK HOEJI
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• v.36 no.6
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• pp.518-528
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• 1992

To determine the optimal conformation of sulfonylureas, the correlation between conformation and hypoglycemic activity of the two sulfonylureas of tolbutamide and chlorpropamide as hypoglycemic agent was studied using an empirical potential function (ECEPP/2) and the hydration shell model in the unhydrated and hydrated states. The conformational energy was minimized from several starting conformations with possible torsion angles in each molecule. The conformational entropy change of each conformation was computed using a harmonic approximation. To understand the hydration effect on the conformation of the molecules in aqueous solution, the contribution of water-accessible volume of each group or atom in the lowest-free-energy conformation was calculated and compared each other. From comparison of the computed lowest-free-energy conformations of two sulfonylureas, it could be suggested that the hydration of sulfonylurea moiety is related to increase the hypoglycemic activity. From the calculation results, it was known that the conformational entropy is the major contribution to stabilize the low-free-energy conformations of two sulfonylureas in unhydrated state. Whereas, in hydrated state, the hydration free energy largely contributes to the total free energies of low-free-energy conformations of tolbutamide and conformational entropy contributes to stabilize the low-free-energy conformations of chlorpropamide. The torsion angles from phenyl ring to urea moiety of the low-free-energy conformations of the two sulfonylureas were shown the nearly regular trend. On the basis of these results, the conformation exhibiting the optimal hypoglycemic activity of sulfonylureas and the binding direction to pancreatic receptor site A could be predicted. Also, according to the side chain lengthening of urea moiety, tolbutamide showed various conformational change. Therefore, steric effect may be important factor in the interaction between sulfonylureas and the putative pancreatic receptor.

• Journal of Animal Science and Technology
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• v.63 no.4
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• pp.740-750
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• 2021

This study was performed to investigate genetic relationship of age at first calving (AFC) with body development and reproduction capacity in female Hanwoo. The data sets of 52,299 reproduction records of 19,566 heads calved from 2011 to 2019 and conformation records of 19565 heads born from 1997 to 2017 were analyzed by separating them based on age at first calving. In the analysis, conformation traits included the body condition score (BCS), height (HT), body width (BW), hip bone length (HL), hip bone width (HW), and final score (FS). The heritability and genetic correlation of AFC with conformation traits and calving interval (CI) were analyzed. The heritability for AFC was 0.716, 0.087, and 0.097 for the before and after 24 months and combined data, respectively. The genetic correlation of AFC before 24 months with BCS was -0.778, -0.600 with BW, and 0.442 with HT. The genetic correlation of AFC after 24 months with HT was -0.826, -0.706 with BW, -0.623 with HL, -0.456 with HW, and -0.675 with FS. When the first calving age of young heifers approached 24 months, BCS and BW decreased, and HT increased. When first calving is delayed to after 24 months, the conformation traits become smaller, which indicates that conformation to some extent affects the delay in AFC. The genetic correlation between CI and AFC was -0.116, 0.307, and 0.250 for the before and after 24 month of AFC and combined data, respectively. When first calving date approached 24 months, CI was reduced. The obtained results suggest that it is important that first calving occurs at an appropriate age. Additional research is needed to perform proper genetic evaluation of first calving age in Hanwoo cattle in Korea.

• Bulletin of the Korean Chemical Society
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• v.32 no.10
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• pp.3702-3706
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• 2011

The conformation of a neuropeptide, substance P (SP), in isotropic (q = 0.5) acidic bicelles was investigated using two-dimensional NMR techniques. By the nuclear Overhauser effect (NOE) cross peaks between SP and long-chain lipid molecules SP was probed to bind on the flat surface of the disc-like bicelles. Structural analysis of NMR data indicated that the helical conformation of SP extended to the C-terminal region of Leu10 as well as in the mid-region from Pro4 to Phe8. As compared with the conformations of SP bound on the sodium dodecylsulfate (SDS) or the dodecylphosphocholine (DPC) micelles with curved surfaces, the surface curvature of the membrane mimics was found to be one of the major factors inducing the biologically relevant conformation of SP. The negative surface charge of the membrane is also a key factor inducing both the binding of SP on the membrane and its biologically active structure.