Browsing by Author "Neetu Singh Yadav"

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Designing Self-Inhibitory fusion peptide analogous to viral spike protein against novel severe acute respiratory syndrome (SARS-CoV-2)
(Taylor and Francis Ltd., 2022) Indra Singh; Shalini Singh; Krishna Kumar Ojha; Neetu Singh Yadav
COVID-19 is a highly contagious viral infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which is declared pandemic by the World Health Organization (WHO). The spike protein of SARS-CoV-2 is a key component playing a pivotal role in facilitating viral fusion as well as release of genome into the host cell. Till date there is no clinically approved vaccine or drug available against Covid-19. We designed four hydrophobic inhibitory peptides (ITPs) based on WWIHS (Wimley and White interfacial hydrophobicity scale) score, targeting the HR1 domain of spike protein. Two inhibitory peptides out of four have a strong affinity to the hydrophobic surface of HR1 domain in pre-fusion spike protein. The MD simulation result showed the strong accommodation of ITPs with HR1 domain surface. These self-inhibitory peptides mimic the function of HR2 by binding to HR1 domain, thus inhibiting the formation of HR1-HR2 post-fusion complex, which is a key structure for virus-host tropism. Communicated by Ramaswamy H. Sarma. © 2021 Informa UK Limited, trading as Taylor & Francis Group.
Electronic Waste Management: An Emerging Challenge to the Environment
(Bentham Science Publishers, 2022) Manikant Tripathi; Durgesh Narain Singh; Sanjeev Srivastava; Neetu Singh Yadav; Nivedita Prasad; Sudhir Singh; Rajeeva Gaur
In developing countries, electronic goods are common in use and generate huge bulk of e-waste. Such waste is discharged into the environment due to broken electronic instruments, such as used computer parts, batteries, air conditioners, mobile phones, etc. Moreover, we cannot imagine our life without electronic gadgets. The ewaste contains several toxic chemicals such as mercury, lead, cadmium cobalt, nickel, and several other toxicants. Therefore, its disposal into the environment causes pollution of soil, water, and air, posing serious threats to all living beings. These wastes can be managed through product recycling through landfills, but it is still not a safe method because dumping sites can spill over a huge quantity of heavy metals, contaminating the surrounding area of soil and water. Thus, the proper management for the treatment of such wastes is necessary for a green environment. It is necessary to understand the public health risks and the strategies to combat this growing menace. Therefore, the main purpose of this chapter is to provide comprehensive information about the e-waste problems, strategies for their management, including microbiological, physical, and chemical treatments of e-wastes. The bioreactor technology using a specific group of microorganisms concerning to bioleaching of metals from the associated E-waste is a safe and ecofriendly remedial measure to combat this problem. © 2022, Bentham Science Publishers.
Structural and functional analysis of protein
(Elsevier, 2021) Neetu Singh Yadav; Pawan Kumar; Indra Singh
This chapter deals with the topic of bioinformatics approaches applied to biology, essentially for the analysis and characterization of protein. Protein is a large and diverse class of biomolecules, involved in various functional and structural parts in all forms of life. Advances in the experimental techniques and computational methodology have facilitated a relevant understanding of the 3D arrangement of the protein structures and the molecular level insight of the protein function. The collective exponential growth of the solved 3D structures has been utilized extensively to develop an advanced computational program to classify the structure information in different hierarchical levels, to develop more accurate machine learning-based protocols for 3D-structure prediction and scoring function, and to understand the mysterious protein folding problem. This chapter discusses the state-of-the-art computational techniques oriented toward the protein structure and function prediction from the sequence. These methods, if used appropriately, can provide valuable indicators of protein structure and prediction. © 2022 Elsevier Inc. All rights reserved.