Institution
Deen Dayal Upadhyay Gorakhpur University
Education•Gorakhpur, Uttar Pradesh, India•
About: Deen Dayal Upadhyay Gorakhpur University is a education organization based out in Gorakhpur, Uttar Pradesh, India. It is known for research contribution in the topics: Thermal decomposition & Lymnaea acuminata. The organization has 1032 authors who have published 1591 publications receiving 21734 citations. The organization is also known as: Gorakhpur University.
Papers published on a yearly basis
Papers
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TL;DR: In this article, the possibility of incorporation of a pyrrolopyrimidine nucleoside analog has been examined on the basis of intermolecular interaction energy studies, where both stacking and in-plane (hydrogen bonding) interactions have been considered for computing the association energy of analogous base (tubercidin) with nucleic acid bases and base pairs.
Abstract: On the basis of intermolecular interaction energy studies, the possibility of incorporation of a pyrrolopyrimidine nucleoside analog has been examined. Both stacking as well as in-plane (hydrogen bonding) interactions have been considered for computing the association energy of analogous base (tubercidin) with nucleic acid bases and base pairs. The molecular charge distribution has been computed by CNDO/2 method while the interaction energy has been computed using second-order perturbation theory. The energy values and the sites of association of the tubercidin base in the complex formation, obtained from the minimum energy configurations, have been compared with the corresponding energy values as well as the sites of association of nucleic acid bases in the transcription process. The theoretical results thus obtained have been discussed in the light of a model developed earlier, and an attempt has been made to correlate the results with the observed biological activity of tubercidin.
9 citations
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TL;DR: The observations suggest that in a common physical environment, the local organization of a community is conditioned by mutual architectural adjustment of neighbouring species.
9 citations
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TL;DR: In this paper, the nitrate complexes of cerium, praseodymium and neodynium with 1,10-phenanthroline (phen) of general formula [Ln(phen) 2(NO3)2(H2O)2]·NO3 (where, Ln=Ce, Pr and Nd) were prepared and characterized by X-ray crystallography.
9 citations
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TL;DR: This work has used the purified laccase of molecular weight 63 kDa obtained from the fungal strain Xylaria polymorpha MTCC-1100 with activity of 1.95 IU/mL for selective oxidation of 2-fluorotoluene, 4-fluorbenzaldehyde, and 2-chlorotolUene to 2- fluorobenzaldehyde and syntheses of 3-dihydroxyphenyl)-propionic acid derivatives by N-cou
Abstract: The chemical route of oxidation of methyl group to its aldehyde is inconvenient because once a methyl group is attacked, it is likely to be oxidized to the carboxylic acid and it is very difficult to stop the reaction at the aldehyde stage. Fungal laccases can be used for such oxidation reaction and the reaction can be completed sharply within 1-2 hrs. Coupling of amines are another important reactions known forfungal laccases; coupling reactions generally take 3-7 hrs. We have used the purified laccase of molecular weight 63 kDa obtained from the fungal strainXylaria polymorpha MTCC-100 with activity of 1.95 IU/mL for selective oxidation of 2-fluorotoluene, 4-fluorotoluene, and 2-chlorotoluene to 2-fluorobenzaldehyde, 4-fluorobenzaldehyde, and 2-chlorobenzaldehyde, respectively, and syntheses of 3-(3,4-dihydroxyphenyl)-propionic acid derivatives by N-coupling of amines. In each oxidation reactions, ABTS was used as mediator molecule. All the syntheses are ecofriendly and were performed at room temperature.
9 citations
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TL;DR: The ligand polarization due to protein environment during the docking of seven ligands in envelope protein of dengue virus and six kinase inhibitors and a detergent molecule whose crystal structure is already known is studied.
Abstract: Molecular docking methodology is useful in predicting comparative binding affinity of library of different ligands whose co-crystal structure in complex form is already known. However, scope of this methodology is not reliable for cross docking of different ligands due to incorrect prediction of binding pose if co-crystal structure is unknown. In the present work, we have studied the ligand polarization due to protein environment during the docking of seven ligands in envelope protein of dengue virus. We have used six kinase inhibitors which are active for dengue virus as well and a detergent molecule whose crystal structure is already known. We observed major change in docking scores due to polarization of ligands. The charges of the ligands were calculated by ab initio methods for the accuracy of our results. We observed increased hydrogen bonding due to polarization in protein environment. These results are more significant for inhibitors containing electronegative elements like chlorine and fluorine.
9 citations
Authors
Showing all 1045 results
Name | H-index | Papers | Citations |
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Rudra Deo Tripathi | 57 | 138 | 9640 |
Nawal Kishore Dubey | 50 | 229 | 10796 |
Harikesh Bahadur Singh | 46 | 307 | 7372 |
Souvik Maiti | 43 | 237 | 5759 |
Ajay Singh | 39 | 256 | 8464 |
Alok C. Gupta | 39 | 131 | 4052 |
Suman K Mishra | 38 | 240 | 4989 |
Gurdip Singh | 36 | 157 | 5173 |
Ram C. Mehrotra | 35 | 506 | 6259 |
Nidhi Gupta | 35 | 266 | 4786 |
Ajay K. Mishra | 34 | 219 | 5050 |
Seema Mishra | 33 | 79 | 4312 |
Narsingh Bahadur Singh | 33 | 194 | 4062 |
Manish Naja | 32 | 110 | 3383 |
Maya Shankar Singh | 31 | 245 | 4261 |