Human Genetics And Molecular Medicine - Research Publications

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Author: search.filters.author.Senapati, S.Has files: No

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    Identification of Compounds from Curcuma longa with in Silico Binding Potential against SARS-CoV-2 and Human Host Proteins Involve in Virus Entry and Pathogenesis
    (Indian Pharmaceutical Association, 2021-12-07T00:00:00) Kumar, S.; Singh, A.K.; Kushwaha, P.P.; Prajapati, Kumari Sunita; Senapati, S.; Mohd, S.; Gupta, S.
    Severe acute respiratory syndrome coronavirus 2 and associated coronavirus disease 2019 is a newly identified human coronavirus has imposed a serious threat to global health. The rapid transmission of severe acute respiratory syndrome coronavirus 2 and its ability to spread in humans have prompted the development of new approaches for its treatment. Severe acute respiratory syndrome coronavirus 2 requires RNA-dependent RNA polymerases for life cycle propagation and Spike (S)-protein for attachment to the host cell surface receptors. The virus enters the human body with the assistance of a key functional host receptor dipeptidyl peptidase-4 primed by transmembrane serine protease 2 which are putative targets for drug development. We performed screening of 267 compounds from Curcuma longa L. (Zingiberaceae family) against the viral S-protein and RNA-dependent RNA polymerases and host receptor proteins dipeptidyl peptidase-4 and transmembrane serine protease 2 using in silico molecular docking. Compounds C1, ((4Z,6E)-1,5-dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-4,6-dien- 3-one) and C6 ((4Z,6E)-1,5-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-4,6- dien-3-one) exhibited tight binding to the S1 domain of the Spike protein than VE607 and with RNAdependent RNA polymerase protein more effectively than ribavirin and remdesivir. These compounds also interacted with the human host proteins dipeptidyl peptidase-4 and transmembrane serine protease 2 with higher efficiency than standard inhibitors sitagliptin and camostat mesylate. The lead compounds showed favorable free binding energy for all the studied protein-ligand complexes in Molecular mechanics/ Generalized born model and solvent accessibility analysis. Besides, other Curcuma longa compounds C14 and C23 exhibited almost similar potential against these target proteins. The structure based optimization and molecular docking studies have provided information on some lead Curcuma longa compounds with probability for advancement in preclinical research. � 2021 Indian Pharmaceutical Association. All rights reserved.
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    Alternative pathways for glucose metabolism
    (Nova Science Publishers, Inc., 2017) Senapati, S.
    Glucose metabolism through glycolysis is one of the most fundamental biochemical processes that take place in every living cell. Different enzymes involved in glycolysis are well conserved among different organisms. Pyruvic acid is the end product of glycolysis that either enters into the mitochondria to participate in Krebs cycle to generate ATPs or under anaerobic condition get converted into lactate. However, in some tissues pyruvate may convert back to carbohydrates (such as glucose) through gluconeogenesis. Parallel to these basic pathways of glucose metabolism, other alternative pathways also exist to perform specialized functions of cells. Three such major alternative pathways are Pentose phosphate pathway, Glucuronic acid pathway and Entner-Doudoroff pathway. Pentose phosphate pathway is an essential and universal pathway which converts glucose 6-phosphate to ribose 5- phosphate that serves as sole source of pentose sugar for DNA synthesis. Glucose 6-phosphate also serves as primary molecule that enters into Gluconic acid pathway to generate UDP-gluconate which helps in detoxification of foreign chemicals and synthesis of Mucopolysaccharides. Entner-Doudoroff pathway also converts glucose into pyruvate and acts as alternative to glycolysis in lower organisms. These three pathways also produces NADPH/H+ which play significant role in fatty acid metabolism and steroid synthesis. ? 2017 Nova Science Publishers, Inc. All rights reserved.