Department Of Biochemistry And Microbial Sciences
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Item Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies(Taylor and Francis Ltd., 2020) Gupta, S; Singh, A.K; Kushwaha, P.P; Prajapati, K.S; Shuaib, M; Senapati, S; Kumar, S.Coronaviruses are contagious pathogens primarily responsible for respiratory and intestinal infections. Research efforts to develop antiviral agents against coronavirus demonstrated the main protease (Mpro) protein may represent effective drug target. X-ray crystallographic structure of the SARS-CoV2 Mpro protein demonstrated the significance of Glu166, Cys141, and His41 residues involved in protein dimerization and its catalytic function. We performed in silico screening of compounds from Curcuma longa L. (Zingiberaceae family) against Mpro protein inhibition. Employing a combination of molecular docking, scoring functions, and molecular dynamics simulations, 267 compounds were screened by docking on Mpro crystallographic structure. Docking score and interaction profile analysis exhibited strong binding on the Mpro catalytic domain with compounds C1 (1E,6E)-1,2,6,7-tetrahydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione) and C2 (4Z,6E)?1,5?dihydroxy?1,7?bis(4?hydroxyphenyl)hepta?4,6?dien?3?one as lead agents. Compound C1 and C2 showed minimum binding score (�9.08 and �8.07 kcal/mole) against Mpro protein in comparison to shikonin and lopinavir (? ?5.4 kcal/mole) a standard Mpro inhibitor. Furthermore, principal component analysis, free energy landscape and protein-ligand energy calculation studies revealed that these two compounds strongly bind to the catalytic core of the Mpro protein with higher efficacy than lopinavir, a standard antiretroviral of the protease inhibitor class. Taken together, this structure based optimization has provided lead on two natural Mpro inhibitors for further testing and development as therapeutics against human coronavirus. Communicated by Ramaswamy H. Sarma. � 2020, � 2020 Informa UK Limited, trading as Taylor & Francis Group.Item Emerging role of ZBTB7A as an oncogenic driver and transcriptional repressor(Elsevier, 2020) Gupta, S; Singh, A.K; Prajapati, K.S; Kushwaha, P.P; Shuaib, M; Kumar, S.ZBTB7A is a member of the POK family of transcription factors that possesses a POZ-domain at the N-terminus and Krüppel-like zinc-finger at the c-terminus. ZBTB7A was initially isolated as a protein that binds to the inducer of the short transcript of HIV-1 virus TAT gene promoter. The protein forms a homodimer through protein-protein interaction via the N-terminus POZ-domains. ZBTB7A typically binds to the DNA elements through its zinc-finger domains and represses transcription both by modification of the chromatin organization and through the direct recruitment of transcription factors to gene regulatory regions. ZBTB7A is involved in several fundamental biological processes including cell proliferation, differentiation, and development. It also participates in hematopoiesis, adipogenesis, chondrogenesis, cellular metabolism and alternative splicing of BCLXL, DNA repair, development of oligodendrocytes, osteoclast and unfolded protein response. Aberrant ZBTB7A expression promotes oncogenic transformation and tumor progression, but also maintains a tumor suppressive role depending on the type and genetic context of cancer. In this comprehensive review we provide information about the structure, function, targets, and regulators of ZBTB7A and its role as an oncogenic driver and transcriptional repressor in various human diseases. - 2020 Elsevier B.V.Item Emerging Role of Migration and Invasion Enhancer 1 (MIEN1) in Cancer Progression and Metastasis(Frontiers Media S.A., 2019) Kushwaha, P.P; Gupta, S; Singh, A.K; Kumar, S.Tumor metastasis is a sequential event accounting for numerous cancer-related fatalities worldwide. The process of metastasis serially involves invasion, intravasation, extravasation, and tumor growth at the secondary site. Migration and invasion enhancer 1 (MIEN1) is a membrane associated protein overexpressed in various human cancers. Biological activity of MIEN1 is driven by geranylgeranyltransferase-I mediated prenylation at CAAX motif and methylation of the prenylated protein that anchors MIEN1 into the cellular membrane. Post-translationally modified MIEN1 interacts with Syk kinase and Annexin A2 protein; polymerizes G-actin and stabilizes F-actin filament; induces focal adhesion kinase phosphorylation and decrease cofilin phosphorylation implicated in both invasion and metastasis of different cancer types. In the present review, we discuss the structure, function, and involvement of MIEN1 in cancer progression. We also highlight the future prospects of MIEN1 as an emerging molecule and novel target in cancer cell invasion and metastasis.Item Terpenoids: Synthesis and biological activities(Nova Science Publisher Inc., 2018) Kushwaha, P.P.; Kumar, S.Terpenoid is the naturally occurring compound synthesized from isoprene units. Terpenoid plays a variety of functions in the growth and development of plants. Most of the terpenoid perform chemical communications and defense function in both biotic and abiotic environment. Terpenoid is classified into different groups such as monoterpene, diterpene, a sesquiterpene, triterpene, tetraterpene, and polyterpene. Terpenoids are reported for their excellent anti-platelet aggregation and anticancer activity. They regulate cellular signaling pathway, cell cycle phases and induce apoptosis. In this chapter, we mainly focused on the different class of the terpenoid, function and their biosynthesis in the plant system. ? 2018 Nova Science Publishers, Inc.Item Secondary metabolite and functional food components: Role in health and disease(Nova Science Publisher Inc., 2018) Kumar, S.Secondary Metabolites and Functional Food Components: Their Roles in Health and Disease consists of original chapters, provides updates to previous source material and acts as a unique source of information for all those interested in secondary metabolites and functional food components. The proposed publication focuses on the pharmaceutical and food industries, with an emphasis on their aspects pertaining to chemistry, nutrition sciences, biochemistry and biology. In the present book, the major secondary metabolites and the chemistry in conjunction with functional food components have been discussed. The book also deals with the role of secondary metabolites in human health and diseases. This book is specifically marketed towards graduate and master?s students. It deals with the knowledge and recent advancements in the field of secondary metabolites and functional food components as well as their importance in health and disease. Moreover, the book will also be very useful for the students preparing for various competitive examinations such as the CSIR, ICMR, DBT, and ICAR JRF/NET exams. ? 2018 by Nova Science Publishers, Inc. All rights reserved.Item Objective and subjective exercise(Nova Science Publishers, Inc., 2017) Sharma, A.K.; Kumar, S.[No abstract available]Item Introduction to secondary metabolites(Nova Science Publisher Inc., 2018) Kumar, S.Metabolic pathways in a microorganism, used for the production of energy, are known as primary metabolic pathway. The metabolic product or intermediary metabolites of primary metabolic pathway are used for the production of secondary metabolites. The pathway used for the production of secondary metabolites is known as secondary metabolism pathway. Secondary metabolites are defined as the chemical compounds that are not directly involved in the growth and development of an organism. Plants, animals, and microbes are known to produce secondary metabolites for various purposes such as defense from herbivores and predators, for pollination, to attract opposite sex individual of the same species, to invade host pathophysiological barriers, and protection from ultraviolet radiations, etc. Secondary metabolites are the basis of various medicinal system worlds around. Beside pharmaceutical industry secondary metabolites have an important place in textile, paper, cosmetics and other industries. Different techniques have been evolved from time to time with the advancement of science to increase the production of secondary metabolites. In the present chapter, we will discuss the importance of secondary metabolite production in plants, animals, and microbes. We will also discussthe machinery involved for increasing the production of secondary metabolites. ? 2018 Nova Science Publishers, Inc.Item Glycogenolysis(Nova Science Publishers, Inc., 2017) Kushwaha, P.P.; Kumar, S.In animals glycogen is the main storage form of fuel material. It is a multi-branched polysaccharide of glucose. Excess of glucose in body get stored in the form of glycogen for further utilization. In future when the body gets starvation condition the stored glycogen in the body gets split into its monomer constituent glucose. The glucose is then utilized by the body to fulfill the energy requirement. Breakdown of glycogen is known as glycogenolysis. It is a step by step process that produces glucose. In the present chapter we will discuss the structure and function of glycogen. The detailed mechanism of glycogenolysis is discussed in the chapter. Moreover we also discussed the regulation of this metabolic process. ? 2017 Nova Science Publishers, Inc. All rights reserved.Item Flavonoids: Synthesis and biological activities(Nova Science Publisher Inc., 2018) Kushwaha, P.P.; Singh, P.; Kumar, S.Flavonoid, the biggest class of secondary metabolite, are are found in vegetable, parsley, fruits, and wine. They are divided into distinct subgroups such as flavanols or catechins, flavones, flavanonols, flavanones, and anthocyanins. Flavonoids performs various protective functions against several herbivore, insectivores, and microbes. Some of the flavonoids such ascampothecin and vincristine are approved as anticancer drug. In the present chapter, we focused on different group of flavonoids and their potential functional relationship with the environment and disease. ? 2018 Nova Science Publishers, Inc.Item Clinical laboratory tests for carbohydrates(Nova Science Publishers, Inc., 2017) Kumar, S.; Sharma, A.K.Clinical biochemistry is also known as clinical chemistry/chemical pathology or medical biochemistry. Basically, it is an area of clinical pathology, generally deals with the analysis of body fluids for diagnosis and therapeutic purposes. Clinical biochemistry is an application part of medical biochemistry that deals with methodology and interpretations of clinical (chemical) tests carried out for the diagnosis of disease. It has been reported that carbohydrate metabolism get disturbed in various diseases. Several carbohydrate metabolites and substrate have been used for the diagnosis and prognosis of diseases related to malfunction of carbohydrate metabolism. In the present book chapter we will discuss various carbohydrate tests. Glucose oxidase, ferricyanide, hagedorn and Jensen and Nelson and Somogyi methods will be describe for the estimation of glucose. Other than these methods we will also learn about liver glycogen, starch, a-amylolysis in vitro, anaerobic glycolysis tests and measurement of endogenous respiration. In the present book chapter we will discuss various carbohydrate tests. Glucose oxidase, ferricyanide, hagedorn and Jensen and Nelson and Somogyi methods will be describe for the estimation of glucose. Other than these methods we will also learn about liver glycogen, starch,a- amylolysis in vitro, anaerobic glycolysis tests and measurement of endogenous respiration. ? 2017 Nova Science Publishers, Inc. All rights reserved.