scholarly journals NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Tarun Jairaj Narwani ◽  
Narayanaswamy Srinivasan ◽  
Sohini Chakraborti

AbstractComputational methods accelerate the drug repurposing pipelines that are a quicker and cost-effective alternative to discovering new molecules. However, there is a paucity of web servers to conduct fast, focussed, and customized investigations for identifying new uses of old drugs. We present the NOD web server, which has the mentioned characteristics. NOD uses a sensitive sequence-guided approach to identify close and distant homologs of a protein of interest. NOD then exploits this evolutionary information to suggest potential compounds from the DrugBank database that can be repurposed against the input protein. NOD also allows expansion of the chemical space of the potential candidates through similarity searches. We have validated the performance of NOD against available experimental and/or clinical reports. In 65.6% of the investigated cases in a control study, NOD is able to identify drugs more effectively than the searches made in DrugBank. NOD is freely-available at http://pauling.mbu.iisc.ac.in/NOD/NOD/.

2014 ◽  
Vol 6 (5) ◽  
pp. 459-465 ◽  
Author(s):  
Sofia Rahiminejad ◽  
Elena Pucci ◽  
Sjoerd Haasl ◽  
Peter Enoksson

In this paper, we present the first ridge-gap waveguide resonator made with a polymer base. It is designed for the frequency range 220–325 GHz, and is fabricated solely using a Au coated two-layer SU8-based process. The design is based on previous work done with Si. The new process has advantages such as fewer and cheaper process steps. The SU8 ridge-gap waveguide resonator is made in order to obtain attenuation characteristics via the measured Q-factor of the resonator. The ridge-gap waveguide resonator has the same dimensions as the previous one fabricated in Si, and the same thickness of the Au coating. The SU8-based resonator shows an attenuation loss of 0.41 dB/mm at 282.2 GHz compared to the Si-based resonator with an attenuation loss of 0.043 dB/mm at 283.5 GHz. This makes the SU8 process a more cost-effective alternative to the Si process


Author(s):  
Narendra Malhotra ◽  
Ashok Khurana ◽  
S Suresh ◽  
Chander Lulla ◽  
Rishabh Bora ◽  
...  

ABSTRACT Most low resource countries have no definite policies laid down for screening for fetal abnormalities and prenatal diagnostic techniques. The problem with screening scans and prenatal diagnostic techniques is the variable way in which they are conducted. There are no clear guidelines about what should, or what should not be done. What is needed is a standard for a routine anomaly scan. In the past 10 to 15 years, major advances have been made in prenatal screening. It has been suggested that maternal age alone as a screening strategy should be abandoned, but there is still no consensus on the most cost-effective alternative, and thus no national strategy exists. This document will provide parameters for obstetricians, radiologists and sonographers–how much screening could be accomplished within the available resources. With the help of prenatal diagnostic technique guideline we will be able to achieve a methodical, uniform and cost-effective way of fetal evaluation. How to cite this article Acharya P, Malhotra J, Malhotra N, Suresh S, Khurana A, Lulla C, Acharya H, Bora NM, Bora R, Malhotra K. Screening for Birth Defects Strategies for Developing Low Resource Countries. Donald School J Ultrasound Obstet Gynecol 2013;7(4):453-461.


Antibiotics ◽  
2021 ◽  
Vol 10 (8) ◽  
pp. 1005
Author(s):  
Valeria V. Kleandrova ◽  
Marcus T. Scotti ◽  
Alejandro Speck-Planche

Tuberculosis remains the most afflicting infectious disease known by humankind, with one quarter of the population estimated to have it in the latent state. Discovering antituberculosis drugs is a challenging, complex, expensive, and time-consuming task. To overcome the substantial costs and accelerate drug discovery and development, drug repurposing has emerged as an attractive alternative to find new applications for “old” drugs and where computational approaches play an essential role by filtering the chemical space. This work reports the first multi-condition model based on quantitative structure–activity relationships and an ensemble of neural networks (mtc-QSAR-EL) for the virtual screening of potential antituberculosis agents able to act as multi-strain inhibitors. The mtc-QSAR-EL model exhibited an accuracy higher than 85%. A physicochemical and fragment-based structural interpretation of this model was provided, and a large dataset of agency-regulated chemicals was virtually screened, with the mtc-QSAR-EL model identifying already proven antituberculosis drugs while proposing chemicals with great potential to be experimentally repurposed as antituberculosis (multi-strain inhibitors) agents. Some of the most promising molecules identified by the mtc-QSAR-EL model as antituberculosis agents were also confirmed by another computational approach, supporting the capabilities of the mtc-QSAR-EL model as an efficient tool for computational drug repurposing.


2020 ◽  
pp. 1192-1198
Author(s):  
M.S. Mohammad ◽  
Tibebe Tesfaye ◽  
Kim Ki-Seong

Ultrasonic thickness gauges are easy to operate and reliable, and can be used to measure a wide range of thicknesses and inspect all engineering materials. Supplementing the simple ultrasonic thickness gauges that present results in either a digital readout or as an A-scan with systems that enable correlating the measured values to their positions on the inspected surface to produce a two-dimensional (2D) thickness representation can extend their benefits and provide a cost-effective alternative to expensive advanced C-scan machines. In previous work, the authors introduced a system for the positioning and mapping of the values measured by the ultrasonic thickness gauges and flaw detectors (Tesfaye et al. 2019). The system is an alternative to the systems that use mechanical scanners, encoders, and sophisticated UT machines. It used a camera to record the probe’s movement and a projected laser grid obtained by a laser pattern generator to locate the probe on the inspected surface. In this paper, a novel system is proposed to be applied to flat surfaces, in addition to overcoming the other limitations posed due to the use of the laser projection. The proposed system uses two video cameras, one to monitor the probe’s movement on the inspected surface and the other to capture the corresponding digital readout of the thickness gauge. The acquired images of the probe’s position and thickness gauge readout are processed to plot the measured data in a 2D color-coded map. The system is meant to be simpler and more effective than the previous development.


Alloy Digest ◽  
1980 ◽  
Vol 29 (11) ◽  

Abstract JS777 is a high-alloy, fully austenitic stainless steel developed for applications where corrosive conditions are too severe for the standard grades of stainless steel. It also provides a cost-effective alternative to more expensive nickel-base and titanium-base alloys. It has relatively high resistance to stress-corrosion cracking and to intergranular corrosion. This datasheet provides information on composition, physical properties, hardness, elasticity, and tensile properties. It also includes information on corrosion resistance as well as forming, heat treating, machining, joining, and surface treatment. Filing Code: SS-377. Producer or source: Jessop Steel Company.


Alloy Digest ◽  
2009 ◽  
Vol 58 (11) ◽  

Abstract Ancorsteel 4300 alloy ferrous powder simulates wrought steel compositions and is a cost-effective alternative to alloys requiring secondary processing. This datasheet provides information on composition, physical properties, hardness, and tensile properties as well as fracture toughness. It also includes information on heat treating and powder metal forms. Filing Code: SA-611. Producer or source: Hoeganaes Corporation.


2019 ◽  
Vol 26 (28) ◽  
pp. 5340-5362 ◽  
Author(s):  
Xin Chen ◽  
Giuseppe Gumina ◽  
Kristopher G. Virga

:As a long-term degenerative disorder of the central nervous system that mostly affects older people, Parkinson’s disease is a growing health threat to our ever-aging population. Despite remarkable advances in our understanding of this disease, all therapeutics currently available only act to improve symptoms but cannot stop the disease progression. Therefore, it is essential that more effective drug discovery methods and approaches are developed, validated, and used for the discovery of disease-modifying treatments for Parkinson’s disease. Drug repurposing, also known as drug repositioning, or the process of finding new uses for existing or abandoned pharmaceuticals, has been recognized as a cost-effective and timeefficient way to develop new drugs, being equally promising as de novo drug discovery in the field of neurodegeneration and, more specifically for Parkinson’s disease. The availability of several established libraries of clinical drugs and fast evolvement in disease biology, genomics and bioinformatics has stimulated the momentums of both in silico and activity-based drug repurposing. With the successful clinical introduction of several repurposed drugs for Parkinson’s disease, drug repurposing has now become a robust alternative approach to the discovery and development of novel drugs for this disease. In this review, recent advances in drug repurposing for Parkinson’s disease will be discussed.


Author(s):  
Tanay Dalvi ◽  
Bhaskar Dewangan ◽  
Rudradip Das ◽  
Jyoti Rani ◽  
Suchita Dattatray Shinde ◽  
...  

: The most common reason behind dementia is Alzheimer’s disease (AD) and it is predicted to be the third lifethreatening disease apart from stroke and cancer for the geriatric population. Till now only four drugs are available in the market for symptomatic relief. The complex nature of disease pathophysiology and lack of concrete evidences of molecular targets are the major hurdles for developing new drug to treat AD. The the rate of attrition of many advanced drugs at clinical stages, makes the de novo discovery process very expensive. Alternatively, Drug Repurposing (DR) is an attractive tool to develop drugs for AD in a less tedious and economic way. Therefore, continuous efforts are being made to develop a new drug for AD by repursing old drugs through screening and data mining. For example, the survey in the drug pipeline for Phase III clinical trials (till February 2019) which has 27 candidates, and around half of the number are drugs which have already been approved for other indications. Although in the past the drug repurposing process for AD has been reviewed in the context of disease areas, molecular targets, there is no systematic review of repurposed drugs for AD from the recent drug development pipeline (2019-2020). In this manuscript, we are reviewing the clinical candidates for AD with emphasis on their development history including molecular targets and the relevance of the target for AD.


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