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1.
Umadevi Palanivel 《Journal of biomolecular structure & dynamics》2016,34(8):1607-1624
The aim of the work was to elucidate the presence of different hydrogen bond (H-bond) in five Zif268 proteins (1A1F, 1A1G, 1A1H, 1A1I and 1A1K). For this purpose, we have performed the QM/MM and molecular dynamics (MD) studies, the results of which reveal that H-bonds depend on the amino acid sequence and orientation of the H-bond donor atoms. Further, high specificity of Arg and Asn is observed for guanine and adenine, respectively. Furthermore, both conventional and non-conventional hydrogen bond also exists in the proteins, among them N–H?O H-bonds are the strongest. Besides, the non-conventional bonds play a role in the protein folding and DNA stacking. From the QSAR properties, amino acids such as asparagine and aspartic acids are the major reactive sites in the Zif268 protein. The electron affinities of Zif268 proteins are high, so the charge transfer occurs from the DNA to the protein molecules. NBO analysis indicates the majority of charge transfer occurs from DNA to the corresponding anti-bonding orbital of the peptides. Root mean square deviation and Rg (radius of gyration) show that 1A1F is more compact and in native state during MD simulation. The minimum Rg leads to the large number of hydrogen bonds formation in 1A1F. Higher solvent accessible surface area in 1A1I indicates that the cavity inside the protein is large. 相似文献
2.
Nang Thu Thu Kyaw Anthony D. Harries Palanivel Chinnakali Annick Antierens Kyi Pyar Soe Mike Woodman Mrinalini Das Sharmila Shetty Moe Khine Lwin Zuu Pyae Sone Htwe Marcelo Fernandez 《PloS one》2015,10(8)
Background
Since 2004, Médecins Sans Frontières-Switzerland has provided treatment and care for people living with HIV in Dawei, Myanmar. Renal function is routinely monitored in patients on tenofovir (TDF)-based antiretroviral treatment (ART), and this provides an opportunity to measure incidence and risk factors for renal dysfunction.Methods
We used routinely collected program data on all patients aged ≥15 years starting first-line TDF-based ART between January 2012 and December 2013. Creatinine clearance (CrCl) was assessed at base line and six-monthly, with renal dysfunction defined as CrCl < 50ml/min/1.73m2. We calculated incidence of renal dysfunction and used Cox regression analysis to identify associated risk factors.Results
There were 1391 patients, of whom 1372 had normal renal function at baseline. Of these, 86 (6.3%) developed renal dysfunction during a median time of follow-up 1.14 years with an incidence rate of 5.4 per 100 person-years: 78 had CrCl between 30–50ml/min/1.73m2 and were maintained on TDF–based ART, but 5 were changed to another regimen: 4 because of CrCl <30ml/min/1.73m2. Risk factors for renal dysfunction included age ≥45 years, diagnosed diabetes, underlying renal disease, underweight and CD4 count <200cells/mm3. There were 19 patients with baseline renal dysfunction and all continued on TDF-based ART: CrCl stayed between 30–49 ml/min/1.73m2 in five patients while the remainder regained normal renal function.Conclusions
In a resource-poor country like Myanmar, the low incidence of renal toxicity in our patient cohort suggests that routine assessment of CrCl may not be needed and could be targeted to high risk groups if resources permit. 相似文献3.
It is known that α-glucosidase is linked with the antioxidant activity. Therefore, it is of interest to document the in- vitro and molecular docking analysis of chalconeimine derivatives with α-glucosidase (PDB ID: 2ZEO) for further consideration. 相似文献
4.
Palanivel Mathangi Mac Aogáin Micheál Purbojati Rikky W. Uchida Akira Aung Ngu War Lim Serene B. Y. Putra Alexander Drautz-Moses Daniela I. Seaton Shila Rogers Thomas R. Schuster Stephan C. Chotirmall Sanjay H. 《Mycopathologia》2020,185(2):405-408
Mycopathologia - Aspergillus terreus species complex is an opportunistic fungal pathogen increasingly implicated in invasive infection, as well as chronic respiratory disease. Currently, an... 相似文献
5.
S. V. N. Vijayendra G. Palanivel S. Mahadevamma R. N. Tharanathan 《Archives of microbiology》2009,191(4):303-310
A heterofermentative Lactobacillus sp. CFR-2182 was isolated from dahi samples and it was found to produce 8.0 and 20.5 g/L heteropolysaccharide (HePS) in EPS medium (a simplified synthetic medium)
and modified MRS broth, respectively, after 72 h at 30°C. The total carbohydrate, reducing sugar and moisture contents of
the purified HePS were 74, 10.6 and 2 g, respectively, per 100 g on dry weight basis. The HePS produced in EPS medium had
glucose and mannose in 17:1 ratio. The HePS was non-gelling and non-film forming type. It was completely soluble in water
and 1 N sodium hydroxide solution. Gel permeation chromatography and HPLC analysis indicated considerable heterogeneity of
the HePS, having three fractions with molecular weights ranging from 3.3 × 104 to 1.32 × 106 Da. The enzymatic hydrolysis of the HePS with pullulanase and α-amylase [with α(1→4) linkage] indicated the presence of α(1→6)
and traces of α(1→4) linkages, respectively. NMR analysis of the EPS revealed unique chemical shifts. 相似文献
6.
Lakshmipathi Senthilkumar Palanivel Umadevi Kumaranathapuram Natarajan Sweety Nithya Ponmalai Kolandaivel 《Journal of molecular modeling》2013,19(8):3411-3425
Twenty cocaine–water complexes were studied using density functional theory (DFT) B3LYP/6-311++G** level to understand their geometries, energies, vibrational frequencies, charge transfer and topological parameters. Among the 20 complexes, 12 are neutral and eight are protonated in the cocaine-water complexes. Based on the interaction energy, the protonated complexes are more stable than the neutral complexes. In both complexes, the most stable structure involves the hydrogen bond with water at nitrogen atom in the tropane ring and C?=?O groups in methyl ester. Carbonyl groups in benzoyl and methyl ester is the most reactive site in both forms and it is responsible for the stability order. The calculated topological results show that the interactions involved in the hydrogen bond are electrostatic dominant. Natural bond orbital (NBO) analysis confirms the presence of hydrogen bond and it supports the stability order. Atoms in molecules (AIM) and NBO analysis confirms the C-H?·?·?·?O hydrogen bonds formed between the cocaine-water complexes are blue shifted in nature. 相似文献
7.
Y. Sreenivasulu K. Gopal V. Gopi T. Gouri Sankar S. Shalini Devi S. Palanivel 《Archives Of Phytopathology And Plant Protection》2013,46(13):1645-1657
Genetic enhancement of TCT4 and TCT10 was aimed in the present paper. Trichoderma reesei (TCT10/M18) mutant isolate evolved by ethyl methane sulfonate mutations was found to exhibit altered properties compared to its parent isolates. This mutant grew well in the potato dextrose agar (PDA) medium containing carbendazim (50 ppm). RAPD-PCR results suggested the uniqueness of mutants, which was useful in differentiating mutant and wild Trichoderma isolates. These mutants established well in the rhizosphere of rough lemon seedlings. The seedlings treated with carbendazim followed by an application of carbendazim-resistant mutant (TCT10/M18) resulted in a better seedling emergence and a less dry root rot disease caused by Fusarium solani in nursery conditions. 相似文献
8.
Palanivel Velmurugan Sang-Myeong Lee Min Cho Jung-Hee Park Sang-Ki Seo Hyun Myung Keuk-Soo Bang Byung-Taek Oh 《Applied microbiology and biotechnology》2014,98(19):8179-8189
We present a simple, eco-friendly synthesis of silver and gold nanoparticles using a natural polymer pine gum solution as the reducing and capping agent. The pine gum solution was combined with silver nitrate (AgNO3) or a chloroauric acid (HAuCl4) solution to produce silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs), respectively. The reaction process was simple; formation of the nanoparticles was achieved by autoclaving the silver and gold ions with the pine gum. UV–Vis spectra showed surface plasmon resonance (SPR) for silver and gold nanoparticles at 432 and 539 nm, respectively. The elemental forms of AgNPs and AuNPs were confirmed by energy-dispersive X-ray spectroscopy (EDX). Fourier transform infrared spectroscopy (FTIR) showed the biomolecules present in the pine gum, AgNPs, and AuNPs. Transmission electron microscopy (TEM) images showed the shape and size of AgNPs and AuNPs. The crystalline nature of synthesized AgNPs and AuNPs was confirmed by X-ray crystallography [X-ray diffraction (XRD)]. Application of synthesized AgNPs onto cotton fabrics and leather, in order to evaluate their antibacterial properties against odor- or skin infection-causing bacteria, is also discussed. Among the four tested bacteria, AgNP-coated cotton fabric and leather samples displayed excellent antibacterial activity against Brevibacterium linens. 相似文献
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