COMPUTER AIDED DRUG DESIGN: TOOLS TO DEVELOP DRUG FOR COVID 19

The CADD includes the combined use of modern computational and experimental techniques which provide structural information about the biologically active molecules. These molecules are involved in disease process and in modulating disease process. The processes of CADD methods are dependent on Bioinformatics tools, applications and database. The present Review article highlights how the modern computational and experimental techniques that have been developed in recent years can be used together to provide structural information about the biologically active molecules that are involved in disease process and in modulating disease process in Special focus to Drug designing for COVID 19 by virtual Screening. Out Put of the article: The present article may be one tool for new drug development against corona Virus

ZERUMBONE, A NATURAL PLANT DIETARY COMPOUND INDUCES EXPRESSION OF INTERLEUKIN-12P70 CYTOKINE IN HUMAN PERIPHERAL BLOOD MONONUCLEAR CELLS

ABSTRACTObjective: Despite possessing many biological activities as antiproliferative, antioxidant, anti-inflammatory, and anticancerous, and zerumbone lacksany evidence for its immunomodulatory activity. This naturally occurring dietary compound needs to be developed as drug to support therapeuticclaims in various infections and diseases.Methods: Hence, in this study, the immunomodulatory effects of zerumbone were investigated by evaluating the effect of this compound toward thelymphocytes proliferation in human peripheral blood mononuclear cells.Results: Lymphocyte proliferation assay showed that zerumbone was able to activate human lymphocytes at dosage-dependent manner at the highestconcentration 40 μl/mL. The production of human interleukin-12p70 cytokine in culture supernatant from activated lymphocytes was upregulatedby zerumbone at 24 hrs and gradually decreased at 48 hrs. Hence, the study confirms the immunomodulatory activity of zerumbone which play animportant role in boosting up the immune system through cytokine production in dosage dependent manner.Conclusion: The study concludes that zerumbone could be used as a lead molecule in herbal therapeutic world as an immunomodulatory drug in thetreatment of chronic infections and various autoimmune disorders.Keywords: Zerumbone, Peripheral blood mononuclear cells, Immunomodulation, Cytokine, Lymphocyte proliferation

Modified Complete Ensemble Empirical Mode Decomposition based HIF detection approach for microgrid system

Detection of high impedance fault (HIF) in an active distribution system is a challenging task. It is learned from the fault characteristics that detection and discrimination of HIF during different critical conditions is impossible using the fault current magnitude. Under dependable situations such as energization of a transformer, nonlinear load and capacitor bank detection and discrimination of HIF is challenging. In a distribution system with an inverter based distributed generator (IBDG), the current contribution during islanding mode is very low and also for HIF condition. To mitigate these issues, an intelligent approach applying Modified Complete Ensemble Empirical Mode Decomposition with Adaptive Noise (MCEEMDAN) on residual current signal is developed. The second intrinsic mode function (IMF2) is extracted using MCEEMDAN and its Teager Kaiser Energy Operator (TKEO) is computed to detect and discriminate the HIF against other physical events. The novelty of MCEEMDAN approach lies with its noise free output and faster response as compared to other time–frequency approaches. The method is tested for several fault and non-fault cases including, presence of noise, harmonics, and unbalance loadings. The comparison with recently reported techniques for very HIF and ungrounded system proofs the efficacy of the method.publishedVersio

Development and evaluation of polyclonal antibodies for detection of Pythium aphanidermatum and Fusarium oxysporum in ginger

Polyclonal antibodies against Pythium aphanidermatum and Fusarium oxysporum proteins were developed for the detection of rhizome rot in ginger using serological assays. Under optimal experimental conditions, the detection limit of P. aphanidermatum by indirect ELISA was 10 µg/ml with a linear working range from 5 to 100 µg/ml (R2 = 0.994). In case of F. oxysporum, the linear working range was 5–100 µg/ml (R2 = 0.991) and the limit of detection was 25 µg/ml. The developed antibodies showed the highest titer in ELISA at 1:2000 dilutions. Sodium dodecyl sulfate–polyacrylamide gel electrophoresis identified proteins ranging from molecular weights 15–97 kDa and 14–116 kDa of P. aphanidermatum and F. oxysporum isolates, respectively. In Western blot analysis, the developed antisera gave positive reactions against the isolated antigens of the fungi. The antibodies revealed immune-reactive bands of molecular weights 59 and 65 kDa in P. aphanidermatum and 44 and 75 kDa in F. oxysporum. The results suggest that the developed antibodies could be successfully applied for the specific immunodetection of P. aphanidermatum and F. oxysporum at an early stage of rhizome rot disease

Drug Targets for Cardiovascular-Safe Anti-Inflammatory: In Silico Rational Drug Studies.

Cyclooxygenase-2 (COX-2) plays an important role in memory consolidation and synaptic activity, the most fundamental functions of the brain. It converts arachidonic acid to prostaglandin endoperoxide H2. In contrast, if over-expressed, it causes inflammation in response to cytokine, pro-inflammatory molecule, and growth factor. Anti-inflammatory agents, by allosteric or competitive inhibition of COX-2, alleviate the symptoms of inflammation. Coxib family drugs, particularly celecoxib, are the most famous anti-inflammatory agents available in the market showing significant inhibitory effect on COX-2 activity. Due to high cardiovascular risk of this drug group, recent researches are focused on the investigation of new safer drugs for anti-inflammatory diseases. Natural compounds, particularly, phytochemicals are found to be good candidates for drug designing and discovery. In the present study, we performed in silico studies to quantitatively scrutinize the molecular interaction of curcumin and its structural analogs with COX-2, COX-1, FXa and integrin αIIbβIII to investigate their therapeutic potential as a cardiovascular-safe anti-inflammatory medicine (CVSAIM). The results of both ADMET and docking study indicated that out of all the 39 compounds studied, caffeic acid had remarkable interaction with proteins involved in inflammatory response. It was also found to inhibit the proteins that are involved in thrombosis, thereby, having the potential to be developed as therapeutic agent

Edible plant-derived essential oils synergistically enhance the Th1, Th2 and anti-inflammatory cytokines in neonatal cord blood monocytic cell line

Edible medicinal plants Curcuma longa, Kaempferia galanga and Zingiber officinale are considered to be suitable for pregnant mother and neonates. Their essential oils are claimed to have therapeutic effects, yet its immunomodulatory activities need to be investigated. To validate the immunomodulatory effect, cord blood monocyte cells (CBMCs) treated with different concentrations of essential oils ranging from 0 to 40 µg/ml. K. galanga oil at 40 µg/ml concentrations upregulated IFN-γ at 49.23 pg/ml, while C. longa oil downregulated the IL-10 at 10.45 pg/ml showing immunostimulant activity on CBMCs. However, Z. officinale oil showed no significant result at any concentration. K. galanga and C. longa oils also showed an increase in lymphocyte proliferation in a dose-dependent manner. The present study was aimed to evaluate the immunomodulatory potentialities of essential oils which will attract the interest of researchers and pharmaceutical industries for clinical studies and other applications in the therapy of diseases related to neonatal infections

NiO-CNT composite for high performance supercapacitor electrode and oxygen evolution reaction

Nickel-oxide-Carbon nanotube (NiO-CNT) composite has been synthesized and its multifunctional electrochemical properties have been demonstrated by investigating the supercapacitive performance and the oxygen evolution reactivity. The composite exhibits interlinked porous structure and offers high surface area which has been observed by X-ray diffraction, Field emission scanning electron microscopy, Transmission electron microscopy and Brunauer-Emmett-Teller surface area analysis. NiO-CNT composite offers a specific capacitance of 878.19 F g(-1) at a scan rate of 2 mV s(-1) along with high cyclic stability. Asymmetric supercapacitor has been fabricated with the composite material as positive electrode and activated carbon as negative electrode and 1 M Na2SO4 electrolyte medium. The device offers a specific capacitance of 197.7 F g(-1) at a scan rate of 2 mV s(-1). It exhibits specific energy and specific power 85.7 Wh kg(-1) and 11.2 kWkg(-1), respectively. The device is capable of powering LED and DC motor for several minutes. Moreover, NiO-CNT composite shows excellent activity as a catalyst for Oxygen Evolution Reaction. The composite offers an overpotential of 0.301 V. The material shows excellent long term performance. This multifunctional composite material is a promising candidate for future applications in energy storage and conversion. (C) 2018 Elsevier Ltd. All rights reserved