Innovation of System Biological Approach in Computational Drug Discovery

Computational methods like classification and network-based algorithms can be used to understand the mode of action and the efficacy of a given compound and to help elucidating the patho-physiology of a disease. In the pharmacological industry there has already been a shift from symptomatic oriented drugs that can relieve the symptoms but not the cause of the disease to pathology-based drugs whose targets are the genes and proteins involved in the etiology of the disease. Drugs targeting the affected pathway have thus the potential to become therapeutic. A network approach to drug design would examine the effect of drugs in the context of a network of relevant protein regulatory metabolic interactions resulting in the development of a drug that would hit multiple targets selected in such a way as to decrease network integrity and so completely disrupt the functioning of the network. The screening of a compound to quickly identify the proteins it interacts with gives us all the necessary tools to identify and repair the deregulated biological pathway causing the disease

Effective Antimicrobial Activity of Green ZnO Nano Particles of Catharanthus roseus

In the present study, zinc oxide nanoparticles (ZnO NPs) were synthesized using leaf extract of Catharanthus roseus (C. roseus) under different physical parameters. Biosynthesis of ZnO NPs was confirmed by UV-Visible spectrophotometer and further, characterized by X-Ray Diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Energy-Dispersive X-ray spectroscopy (EDX), Atomic Force Microscopy (AFM), Photoluminescence study and Dynamic Light Scattering (DLS). We have also confirmed that several physical parameters such as pH, temperature, concentration of metal ions and reaction time were able to regulate shape and size of synthesized ZnO NPs. XRD and TEM analysis provided the information about the average size and hexagonal morphology of ZnO NPs. FTIR spectra analysis suggested that phenolic compounds played crucial role in the biosynthesis of ZnO NPs. The significant antibacterial activity of ZnO NPs was observed against Staphylococcus aureus MTCC 9760 (S. aureus), Streptococcus pyogenes MTCC 1926 (S. pyogenes), Bacillus cereus MTCC 430 (B. cereus), Pseudomonas aeruginosa MTCC 424 (P. aeruginosa), Proteus mirabilis MTCC 3310 (P. mirabilis) and Escherichia coli MTCC 40 (E. coli). The synthesized ZnO NPs have shown antibacterial efficacy against both Gram-positive and Gram-negative pathogens. Synergistic effects of ZnO NPs and streptomycin showed increased efficacy as indicated by the increased zone of clearance in comparison to their individual effects (either ZnO NPs or streptomycin). Overall, the results elucidated a rapid, cost-effective, environmentally friendly and convenient method for ZnO NPs synthesis, which could be used as a potential antimicrobial agent against drug resistant microbes

Recent progress in selected bio-nanomaterials and their engineering applications: An overview

Nowadays, the rapid climate change, water pollution and harmful gas emissions are largely caused by the extensive use of petrochemicals and the burning of plastic materials. The government authorities across the globe and experts mentioned that the dumping of plastic waste and non-biodegradable materials is a principal problem of the environmental pollution. In their numerous chemical forms, cellulose and various other biodegradable materials can be possible alternatives to resolve these challenging issues. This review article is an effort to combine the recent developments, concerns and prospective applications of environmentally friendly nano- with micro-structured polymeric materials such as chitin, starch, polycaprolactone and nanocellulose. Nanocellulose has been considered as one of the most important biopolymers having significant advancements in research and their application in the various fields. Herein, cellulose-based materials for engineering and interdisciplinary applications, comprising approaches for the transformation of cellulose to nanocellulose, and the fabrication method for their blends and composites have been reviewed. Moreover, the structural-functional relationship, the thermo-mechanical properties of starch, poly (Lactic) acid, polycaprolactone, lignin and some of their composite and potential applications of these materials in various fields of engineering have been elaborated. Keywords: Green materials, Biopolymers, Cellulose, Nanocellulose, Biodegradable material

Occurrence of multidrug resistant Escherichia coli in groundwater of Brij region (Uttar Pradesh) and its public health implications

Aim: The study evaluates the microbial as well as physicochemical pollution of groundwater of Brij region of Uttar Pradesh, a major tourist destination in the country along with estimating the drug resistance evident in the isolated Escherichia coli. Materials and Methods: A total of 60 samples of groundwater were collected from six different sites and assessed for physicochemical (pH, color, taste, turbidity, total dissolved solids [TDS], total hardness [TH], chlorides, fluorides, nitrates, and iron) and microbiological parameters (standard plate count [SPC], most probable number test [MPN], E. coli). Results: A majority of the samples were found to be out of the range for most of the parameters except iron. Particularly, high values of TDS (up to 9000 ppm), TH (1500 mg/L), chlorides (3250 mg/L), fluorides (2.5 mg/L), and nitrates (100.2 mg/L) were observed at most of the sites in the region highlighting the fact that groundwater of the area is not potable. Samples were turbid and salty to taste. High SPC values, up to 3500 colony-forming unit/ml and coliforms beyond BIS range were found in 40% samples suggesting gross microbial contamination. Only 2 sites (G3 and G5) had low MPN values. Overall 16 (26.67%) E. coli were isolated with 3 (18.75%) producing red colonies on conge red agar, hence supposed to be pathogenic. No E. coli O157:H7 was isolated. High antimicrobial resistance was observed against amoxicillin and erythromycin, whereas E. coli isolates were sensitive toward cefotaxime-clavulanic acid and imipenem. 12 isolates (75%) were multidrug resistant (MDR) with MDR index >20%, and 2 isolates (12.5%) were found to be extended spectrum beta-lactamases positive. Conclusion: Groundwater is considered to be a safe option for potable water but it is obvious from the findings of this study that considerable physicochemical and microbial contamination is there in groundwater samples of Brij region. The occurrence of MDR E. coli in these waters is a matter of great public health concern

A new class of PANI-Ag core-shell nanorods with sensing dimensions

A single-step, cost-effective and eco-safe synthesis of a new class of homogeneous silver-polyaniline (PANI-Ag) core-shell nanorods is carried out via mild photolysis by ultraviolet radiation from sunlight (SUN UV-radiation). X-ray diffraction (XRD) of these core-shell nanorods gives two additional peaks from PANI centered at 2 theta = 20.5 degrees and 24.9 degrees. A validation of the core-shell structural information is given by transmission electron spectroscopy (TEM) whereas the tubular shape morphology is determined by scanning electron microscopy (SEM). UV-Vis. absorption shows a strong blue-shift along with photoluminescence emission. Fourier transform-infrared spectroscopy (FT-IR) and energy dispersive X-ray spectroscopy (EDX) also support the core-shell formation. Thermogravimetric analysis (TGA) shows good thermal stability and allows excellent detection of hydrogen peroxide and hydrazine. The cyclic voltammetry (CV) results show excellent electro-activation, indicating its promising potential in sensing of clinical and environmental analytes

Occurrence of multidrug resistant Escherichia coli in groundwater of Brij region (Uttar Pradesh) and its public health implications

Aim: The study evaluates the microbial as well as physicochemical pollution of groundwater of Brij region of Uttar Pradesh, a major tourist destination in the country along with estimating the drug resistance evident in the isolated Escherichia coli. Materials and Methods: A total of 60 samples of groundwater were collected from six different sites and assessed for physicochemical (pH, color, taste, turbidity, total dissolved solids [TDS], total hardness [TH], chlorides, fluorides, nitrates, and iron) and microbiological parameters (standard plate count [SPC], most probable number test [MPN], E. coli). Results: A majority of the samples were found to be out of the range for most of the parameters except iron. Particularly, high values of TDS (up to 9000 ppm), TH (1500 mg/L), chlorides (3250 mg/L), fluorides (2.5 mg/L), and nitrates (100.2 mg/L) were observed at most of the sites in the region highlighting the fact that groundwater of the area is not potable. Samples were turbid and salty to taste. High SPC values, up to 3500 colony-forming unit/ml and coliforms beyond BIS range were found in 40% samples suggesting gross microbial contamination. Only 2 sites (G3 and G5) had low MPN values. Overall 16 (26.67%) E. coli were isolated with 3 (18.75%) producing red colonies on conge red agar, hence supposed to be pathogenic. No E. coli O157:H7 was isolated. High antimicrobial resistance was observed against amoxicillin and erythromycin, whereas E. coli isolates were sensitive toward cefotaxime-clavulanic acid and imipenem. 12 isolates (75%) were multidrug resistant (MDR) with MDR index >20%, and 2 isolates (12.5%) were found to be extended spectrum beta-lactamases positive. Conclusion: Groundwater is considered to be a safe option for potable water but it is obvious from the findings of this study that considerable physicochemical and microbial contamination is there in groundwater samples of Brij region. The occurrence of MDR E. coli in these waters is a matter of great public health concern

Enhanced tolerance of transgenic potato plants over-expressing non-specific lipid transfer protein-1 (StnsLTP1) against multiple abiotic stresses

Abiotic stresses such as heat, drought and salinity are major environmental constraints that limit potato (Solanum tuberosum L.) production worldwide. Previously, we found a potential thermo-tolerance gene, named StnsLTP1 from potato using yeast functional screening. Here, we report the functional characterization of StnsLTP1 and its role in multiple abiotic stresses in potato plants. Computational analysis of StnsLTP1 with other plant LTPs showed eight conserved cysteine residues, and four α-helices stabilized by four disulfide bridges. Expression analysis of StnsLTP1 gene showed differential expression under heat, water-deficit and salt stresses. Transgenic potato lines over-expressing StnsLTP1 gene displayed enhanced cell membrane integrity under stress conditions, as indicated by reduced membrane lipid per-oxidation, and hydrogen peroxide content relative to untransformed (UT) control plants. In addition, transgenic lines over-expressing StLTP1 also exhibited increased antioxidant enzyme activity with enhanced accumulation of ascorbates, and up-regulation of stress-related genes including StAPX, StCAT, StSOD, StHsfA3, StHSP70, and StsHSP20 compared with the UT plants. These results suggests that StnsLTP1 transgenic plants acquired improved tolerance to multiple abiotic stresses through enhanced activation of antioxidative defense mechanisms via cyclic scavenging of reactive oxygen species (ROS) and regulated expression of stress-related genes

Carbon Nanomaterials and their Nanocomposites with Metal Oxides: Biosynthesis, Electrochemical, Photocatalytic and Antimicrobial Applications

Metal oxides and their nanocomposites are used in various technological applications.Biofabrication of carbon-based metal oxide nanocomposites preparation using plants,microbes, cell cultures and enzymes are the most attractive technique because of nontoxicnature, and sustainable process. Phytochemicals play important role in sizelessening of the particles by performing as structure-directing, capping and reducingagents. In this chapter, we shed light on eco-friendly, money-spinning, andphytosynthesis of carbon based nanomaterials (CNMs) like graphene oxide, reducedgraphene oxide, and metal doped-rGO nanocomposites using green reducers. Moreover,electrochemical, photocatalytical and biological applications of CNMs and theirnanocomposites with metal oxides are discussed.Fil: Gomaji Chaudhary, Ratiram. No especifíca;Fil: Potbhare, Ajay K.. No especifíca;Fil: Chouke, Prashant B.. No especifíca;Fil: Rai, Alok R.. No especifíca;Fil: Raghvendra Kumar, Mishra. No especifíca;Fil: Desimone, Martín Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Houssay. Instituto de Química y Metabolismo del Fármaco. Universidad de Buenos Aires. Facultad de Farmacia y Bioquímica. Instituto de Química y Metabolismo del Fármaco; ArgentinaFil: Abdala, Ahmed A.. Texas A&M University; Estados Unido