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Shubham Srivastava Pakhuri Mehta Omprakash Sharma Manish Sharma 《Journal of biomolecular structure & dynamics》2020,38(14):4179-4188
Abstract Chemical entities targeting kinase signalling pathways serve as a potential strategy to combat malignancies. Protein Kinase B or Akt is a validated target for various malignancies and Akt3 remains the least explored isoform among all its isoforms. Initially, homology modelling technique was used for generating protein structure and further validation was performed using molecular dynamics simulation and Ramachandran plot. The validated protein structure was then subjected for active site analysis which led to identification of active site residues based on metrics provided by site score. The important residues in binding site were identified as Thr81, Asp271 and Asp289 for binding energetics and inhibition. Subsequently, virtual screening methodologies were used for identification of novel hits for inhibition of Protein Kinase B or Akt3. This led to the identification of two hits, i.e. thiophene derivative and thieno-pyridine derivative which were selected on the basis of their binding affinity and drug likeliness. These identified hits were subjected for molecular dynamics simulations, quantum mechanical and synthetic accessibility studies. The role of crucial residues in binding site stood validated as suggested by molecular dynamics simulations studies. Communicated by Ramaswamy H. Sarma 相似文献
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Krishna Kumar Natarajan Amaresan Someshwar Bhagat Kutthum Madhuri Palaniswamy Udhayaraj Ramesh Chandra Srivastava 《Archives Of Phytopathology And Plant Protection》2013,46(14):1399-1409
In this study, the in vitro potential of 42 Trichoderma spp. were evaluated against four isolates of soil borne phytopathogenic fungi viz., Rhizoctonia solani, Macrophomina sp., Sclerotium rolfsii and Pythium aphanidermatum in dual culture techniques and through production of volatile and non-volatile inhibitors. In vitro screening results showed that the proportion of isolates with antagonistic activities was highest for the S. rolfsii followed by R. solani, Macrophomina sp. and P. aphanidermatum, respectively. The isolates TNT1, TNP2 and TWP1 showed consistent results in volatile and non-volatile activity in vitro against any of the two pathogens tested. Based on genomic finger prints, potential isolates showed no particular correlation between the origin of the isolates and the Random Amplified Polymorphic DNA (RAPD) groups could not be established. However, the polymorphism shown by the isolates did not correlate to their level of antagonism. Whereas, in physiology studies using BIOLOG (microbial identification system), three groups were formed, one group consists with 14 different Trichoderma species and two groups with two isolates each comprised of only T. koningii and T. viride. 相似文献
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L. T. Ellis A. K. Asthana P. Srivastava I. Omar K. K. Rawat V. Sahu 《Journal of bryology》2013,35(1):47-63
AbstractBryophyte biomass and diversity vary strongly with altitude in the tropics. Low abundance and low species numbers in lowland rain forests are most likely due to reduced diurnal activity times combined with high nocturnal respiration rates at high temperatures. This may exclude many montane species from the warm lowlands. However, an alternative hypothesis explains the observed pattern, namely a limited desiccation tolerance of montane species, precipitation being more concentrated but less frequent in most lowland forests compared to montane cloud forests. To test this hypothesis, we studied the desiccation tolerance of four montane and four lowland bryophyte species. The effects of prolonged drought were quantified with chlorophyll fluorescence (Fv/Fm) and the extent of electrolyte leakage. Both montane and lowland species survived dry periods of ≧80 days, which far exceeds the duration of dry periods in the wet lowland tropics. We can thus exclude intolerance to long dry spells as an explaination for the absence of the tested montane species in the lowlands. We should continue to focus on other mechanisms to explain the altitudinal gradient of bryophyte abundance and diversity in the tropics, in order to understand this pattern, as well as to predict future trends under climatic warming. 相似文献
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Varsha Pathare Sudhakar Srivastava Penna Suprasanna 《Acta Physiologiae Plantarum》2013,35(12):3377-3389
This study evaluated the effects of arsenic (As) exposure on carbon, nitrogen, and sulfur (CNS) metabolism in Brassica juncea. Two contrasting, tolerant (TPM-1) and sensitive (TM-4), varieties of B. Juncea were selected and grown either in control sand (150 g) or in sand containing 10 mg of arsenate. Harvesting was performed at 7 and 15 days and various metabolites and enzymes of CNS as well as γ-aminobutyric acid (GABA) metabolism were analyzed. At 7 days, TM-4 showed significantly higher As accumulation and stressed phenotype with increase in superoxide radicals, malondialdehyde, and cell death, as compared with TPM-1. However, the level of hydrogen peroxide was higher in TPM-1 than in TM-4. The level of GABA and the activity of glutamate decarboxylase increased in both roots and shoots of TPM-1, but not in TM-4. The level of nitrate and sulfate increased and decreased in shoots of TPM-1 and TM-4, respectively. The supply of fumarate and succinate was maintained in both shoots and roots of TPM-1 while it was only in shoots of TM-4. There was significant alteration in the profile of amino acids and in sulfur and nitrogen metabolism. However, at 15 days, As accumulation of both varieties was found to be similar along with an increase in GABA, nitrate, and sulfate in both shoots and roots except sulfate in TM-4. Supply of fumarate and succinate was also maintained and other responses were found to be similar in TPM-1 and TM-4. The study demonstrates that responses of CNS metabolism differ in varietal and time-dependent manner. 相似文献
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Stephen L. Pinkosky Sergey Filippov Rai Ajit K. Srivastava Jeffrey C. Hanselman Cheryl D. Bradshaw Timothy R. Hurley Clay T. Cramer Mark A. Spahr Ashley F. Brant Jacob L. Houghton Chris Baker Mark Naples Khosrow Adeli Roger S. Newton 《Journal of lipid research》2013,54(1):134-151
ETC-1002 (8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid) is a novel investigational drug being developed for the treatment of dyslipidemia and other cardio-metabolic risk factors. The hypolipidemic, anti-atherosclerotic, anti-obesity, and glucose-lowering properties of ETC-1002, characterized in preclinical disease models, are believed to be due to dual inhibition of sterol and fatty acid synthesis and enhanced mitochondrial long-chain fatty acid β-oxidation. However, the molecular mechanism(s) mediating these activities remained undefined. Studies described here show that ETC-1002 free acid activates AMP-activated protein kinase in a Ca2+/calmodulin-dependent kinase β-independent and liver kinase β 1-dependent manner, without detectable changes in adenylate energy charge. Furthermore, ETC-1002 is shown to rapidly form a CoA thioester in liver, which directly inhibits ATP-citrate lyase. These distinct molecular mechanisms are complementary in their beneficial effects on lipid and carbohydrate metabolism in vitro and in vivo. Consistent with these mechanisms, ETC-1002 treatment reduced circulating proatherogenic lipoproteins, hepatic lipids, and body weight in a hamster model of hyperlipidemia, and it reduced body weight and improved glycemic control in a mouse model of diet-induced obesity. ETC-1002 offers promise as a novel therapeutic approach to improve multiple risk factors associated with metabolic syndrome and benefit patients with cardiovascular disease. 相似文献
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Susmita K. Singh Dinesh K. Tripathi Pramod K. Singh Sharad Sharma Kishore K. Srivastava 《Applied microbiology and biotechnology》2013,97(13):5825-5837
The proline-glutamic acid (PE) and proline-proline-glutamic acid (PPE) multi-gene families code for approximately 10 % of the Mycobacterium tuberculosis (Mtb) genome. These proteins are thought to be virulence factors that participate in impounding the host immune responses. While some members have been studied, the functions of most PE/PPE proteins are yet to be explored. The studies presented here have specifically characterized the roles of one of the PE proteins of Mtb, Rv0160c (PE4), in mycobacterial persistence and in prophylactic efficacy. We have expressed Rv0160c in a non-pathogenic fast-growing Mycobacterium smegmatis strain and demonstrated that the protein improves the survival of mycobacteria in macrophages and in mice. The protein has also shown its effect under physiological stress of bacteria, as evidenced by elevated expression in acidic and in hypoxic conditions. In mice, the level of Rv0160c was noticeably high during the chronic stage of tuberculosis. The seroreactivity of the protein against different categories of tuberculosis patients revealed a strong B-cell humoral response in freshly infected pulmonary tuberculosis patients. In mice, it exhibited increased IL-2, TNF, and IL-6 production. The antigenic properties of the protein directed towards the protective efficacy against the Mtb challenge. All together, our findings have identified Rv0160c as an in vivo expressed immunodominant antigen which plays a crucial role in the pathogenesis of mycobacterial disease and could prove to be a good preventive antigen for tuberculosis. 相似文献