In Vitro Evaluation of Antagonism of Endophytic Colletotrichum gloeosporioides Against Potent Fungal Pathogens of Camellia sinensis

An endophytic fungus isolated from Camellia sinensis, Assam, Northeastern India was identified as Colletotrichum gloeosporioides on the basis of morphological characteristics and rDNA ITS analysis. This endophytic fungus was evaluated for growth inhibition against tea pathogens Pestalotiopsis theae and Colletotrichum camelliae. One isolate of C. gloeosporioides showed strong antagonistic activity against Pestalotiopsis theae (64 %) and moderate activity against C. camelliae (37 %). Fifty percent cell-free culture filtrate from 5-day-old cultures showed highest antagonistic activity against both the pathogens although the inhibition percent was less as compared to dual culture. In the experiment of volatile compounds none of the isolates of C. gloeosporioides strains showed visible inhibition against P. theae and C. camelliae. The activity of extracellular hydrolytic enzymes chitinase and protease was also high in this culture fluid and measured 10 and 4.3 IU/μl, respectively.     

Design of inhibitors of the HIV-1 integrase core domain using virtual screening

Acquired immunodeficiency syndrome (AIDS) is a disease of the human immune system caused by the human immunodeficiency virus (HIV). The integrase (IN) enzyme of HIV interacts with several cellular and viral proteins during the integration process. Thus, it represents an appropriate target for antiretroviral drugs (ARVs). We performed virtual screening of database compounds and designed analogues using Elvitegravir (EVG) as a standard compound. The 378 screened compounds were retrieved from ZINC, ChemSpider, PubChem, and ChemBank Chemical Databases based on chemical similarity and literature searches related to the structure of EVG. The Physiochemical properties, Bioactivity, Toxicity and Absorption, Distribution, Metabolism and Excretion of Molecules (ADME) of these compounds were predicted and docking Experiments were conducted using Molegro Virtual Docker software. The docking and ADME suggested very significant results in regard to EVG. The MolDock and Rerank scores were used to analyze the results. The compounds ZINC26507991 (-84.22), Analogue 9 (-68.49), ZINC20731658 (-66.79), ZINC00210363 (-43.44) showed better binding orientation with IN receptor model with respect to EVG (182.52). The ZINC26507991 has showed significant ADME result.     

Musa puspanjaliae sp. nov. (Musaceae) from Arunachal Pradesh,India

Musa puspanjaliae R. Gogoi & Häkkinen, a new species of Musa sect. Musa, is described and illustrated from west Kameng, Arunachal Pradesh, India based on morphological characteristics observed in the field. The new species is common in Sessa, Zero Point to Ramda on Sepa road of west Kameng and Hazi Basti, Ziro of lower Subansiri district in Arunachal Pradesh. A key to M. puspanjaliae and related taxa is provided.     

Virtual Screening of compounds from Tabernaemontana divaricata for potential anti-bacterial activity

Virtual Screening and Molecular Docking analysis for Tabernaemontana divaricata derived 66 Law Molecular Weight Compounds (LMW) was conducted and to identified and predicted novel molecules as a inhibitor of Streptococcus pneumonia. The investigation has revealed several compounds with optimum binding towards Penicillin-binding proteins, Sialidases, Aspartate betasemialdehide dehydrogenase cell membrane protein of Streptococcus pneumonia. Docking results were computed in term of binding energy, ligand efficiency and number of hydrogen bonding. Apparicine (-5.14), 5-Hydroxyvoaphylline (-4.78), Voacangine (-4.7), 19-Hydroxycoronaridine (-4.44) and Coronaridine (-4.72) are identified as most suitable to bind with N-acetylglucosamine-1- phosphate uridyltransferase receptor. Ervaticine (-6.33), Ibogamine (-6.15), Methylvoaphylline (-5.74) and Coronaridine hydroxyindolenine (-5.32) has showed novel binding against the penicillin-binding proteins. Ervaticine (-6.42), 5-oxo-11-hydroxy voaphylline (-6.18), Conolobine B (-6.02) has found optimum binding against the active site of NanB sialidase of Streptococcus pneumonia. The compounds 3S-Cyanocoronaridine (-6.71), 19-Epivoacristine (-5.48) and Ervaticine(-5.45) interacting with aspartate beta-semialdehide and found suitable with least docking score.     

Design of novel PhMTNA inhibitors,targeting neurological disorder through homology modeling,molecular docking,and dynamics approaches

Vanishing white matter (VWM) is a hereditary human disease, mostly prevalent in childhood caused by the defects in the eukaryotic initiation factor beta subunits. It is the first disease involved in the translation initiation factor, eIF2B. There is no specific treatment for VWM which mainly affect the brain and ovaries. The gray matter remains normal in all characteristics while the white matter changes texture, coming to the pathophysiology, many initiation factors are involved in the initiation of translation of mRNAs into polypeptides. In this study, the three-dimensional structure of PhMTNA protein was modeled and the stability ascertained through Molecular dynamic simulation (MDS) for 100?ns. The active site residues are conserved with the reported BsMTNA structure which is also confirmed through sitemap prediction. Through virtual screening and induced fit docking, top five leads against PhMTNA protein was identified based on their binding mode and affinity. ADME properties and DFT (Density Functional Theory) studies of these compounds were studied. In addition to that, computational mutagenesis studies were performed to identify the hotspot residues involved in the protein-ligand interactions. Overall analysis showed that the compound NCI_941 has a highest binding energy of ?46.256?kcal mol^?1 in the Arg57Ala mutant. Thus, the results suggest that NCI_941 would act as a potent inhibitor against PhMTNA protein.     

Thermal Stress Impacts on Reproductive Development and Grain Yield in Grain Legumes

Temperature stress (cold, heat) during reproductive development is one of the serious constraints to the productivity of grain legumes as their cultivation is expanding to warmer environments and temperature variability is increasing due to climate change. Grain legumes exposed to temperature below 10-15°C or above 30°C show flower abortion, pollen and ovule infertility, impaired fertilization, and reduced seed filling, leading to substantial reduction in grain yield. For managing these effects of temperature extremes, it is important to improve the resistance of grain legumes by using improved breeding and genetic engineering tools. In this review article, the impact of both high and low temperature stress on different phases of the reproductive stage, from meiosis to grain filling, and the sensitivity of different reproductive organs to temperature extremes are discussed. The review also covers the management options to improve resistance to temperature stress in grain legumes. Furthermore, innovative breeding, genetic and molecular strategies in grain legumes against temperature stress are also discussed.     

Insights from the docking analysis of biologically active compounds from plant Litsea Genus as potential COX-2 inhibitors

Litsea spp of Laural family are traditionally used as herbal medicine for treating inflammation including gastroenterologia, oedema and rheumatic arthritis. Therefore, it is of interest to investigate and understand the molecular principles for such actions. Here, we have illustrated the binding of thirteen Litsea derived biologically active compounds against the inflammation associated target COX (cyclo-oxygenase) -2 enzymes. We compared the binding information of these compounds with a selected number of already known COX-2 inhibitors. The comparison reflected that some of these compounds such as linderol, catechin, 6''-hydroxy-2'',3'',4'' - trimethoxy-chalcone and litseaone have better or equivalent binding features compared to already known inhibitory compounds namely celecoxib, acetylsalicylic acid, rofecoxib. Therefore, all these small compounds reported from plant Litsea spp were found to possess potential medicinal values with anti-inflammatory properties.     

Microbial Activity in High-Sulfur Reclaimed Coal Mine Overburden Sites

The high-sulfur containing coalmine overburden (OB) dumping ground of the Tirap colliery under the northeastern coalfields in Assam, India, was reclaimed by phytoremediation techniques. Native plant species were planted with line and field methods and by amending with cow dung and unmined soil. In this study, the changes in microbial activity of the reclaimed mine OB wasteland of the Tirap colliery are examined. The enzyme activities of urease, dehydrogenase, and phosphatase were compared over time. Improvements in soil pH, bulk density, and water-holding capacity in the mine OB were found. After four years of reclamation, 1.01% of particles were soil sized (=0.255 mm grain size) with the maximum degradation in the mine OB grain sizes of ?20 mm to +12 mm and of +25 mm. A 1,000-fold increase in microbial colony forming units (CFU) in the four years at the remediated site along with an increase in total DNA were evident for the mine OB reclaimed sites. The increase of microbial CFUs in the mine OB was related to a 100- to 2,000-fold increase in enzyme activity for the reclaimed areas. From this investigation, it can be concluded that the improvement of enzyme activities and the increase in microbial populations of reclaimed mine OB will yield information pertaining to the reclamation index of mine OB.