Redefining NSP12 activity in SARS-CoV-2 and its regulation by NSP8 and NSP7

Authors: Deepa Singh, Tushar Kushwaha, Rajkumar Kulandaisamy, Vikas Kumar, Kamal Baswal, Saras H. Tiwari, Arkadyuti Ghorai, Manoj Kumar, Saroj Kumar, Soumya De, Aparoy Polamarasetty, Deepak Sehgal, Madhumohan R. Katika, Suresh Gadde, Marceline Côté, Sarala R. Kayampeta, Mohan Babu Appaiahgari, Krishna K. Inampudi

Source: Molecular Therapy: Nucleic Acids, Vol 36, Iss 1, Pp 102452- (2025)

Subject Terms: MT: Oligonucleotides: Therapies and Applications, SARS-CoV-2, replication-transcription complex, RdRp, holoenzyme, NSP12, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S216225312500006X; https://doaj.org/toc/2162-2531

Access URL: https://doaj.org/article/3d9c0632dcb542908910f303cd194fec

Repurposing of FDA Approved Drugs Against SARS-CoV-2 Papain-Like Protease: Computational, Biochemical, and in vitro Studies

Authors: Rajkumar Kulandaisamy, Tushar Kushwaha, Anu Dalal, Vikas Kumar, Deepa Singh, Kamal Baswal, Pratibha Sharma, Kokkula Praneeth, Pankaj Jorwal, Sarala R. Kayampeta, Tamanna Sharma, Srinivas Maddur, Manoj Kumar, Saroj Kumar, Aparoy Polamarasetty, Aekagra Singh, Deepak Sehgal, Shivajirao L. Gholap, Mohan B. Appaiahgari, Madhumohan R. Katika, Krishna K. Inampudi

Source: Frontiers in Microbiology, Vol 13 (2022)

Subject Terms: COVID-19, SCoV-2, Papain-like protease, FDA drug, virtual screening, enzymatic assays, Microbiology, QR1-502

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmicb.2022.877813/full; https://doaj.org/toc/1664-302X

Access URL: https://doaj.org/article/10ea328f02e14b0d805ffbc36c6548d3

The Augmenting Effects of Desolvation and Conformational Energy Terms on the Predictions of Docking Programs against mPGES-1.

Authors: Ashish Gupta, Neha Chaudhary, Kumar Reddy Kakularam, Reddanna Pallu, Aparoy Polamarasetty

Source: PLoS ONE, Vol 10, Iss 8, p e0134472 (2015)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: http://europepmc.org/articles/PMC4549307?pdf=render; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/3d1e804da3d64a6a8fb1738a7345747f

Molecular dynamics simulations to decipher the hotspots at the allosteric site of human 5-lipoxygenase

Authors: Parvez, Sahanawaz ^a, Bhavani, Kallepalli Sarala ^a, Chanchayya Gupta, Chandaluri ^b, Werz, Oliver ^c, Aparoy, Polamarasetty ^{a, ⁎}

Source: In Journal of Molecular Graphics and Modelling May 2025 136

EasyModeller: A graphical interface to MODELLER

Authors: Kuntal Bhusan K, Aparoy Polamarasetty, Reddanna Pallu

Source: BMC Research Notes, Vol 3, Iss 1, p 226 (2010)

Subject Terms: Medicine, Biology (General), QH301-705.5, Science (General), Q1-390

File Description: electronic resource

Relation: http://www.biomedcentral.com/1756-0500/3/226; https://doaj.org/toc/1756-0500

Access URL: https://doaj.org/article/c19dfc7272954ae48d6d20e19f9582a8

Computational insights into the targeted inhibition of lipoxygenase in Pseudomonas aeruginosa: hints for drug design.

Authors: Parvez, Sahanawaz, Grewal, Sonam, Kumari, Anamika, Aparoy, Polamarasetty

Source: Archives of Microbiology; Apr2025, Vol. 207 Issue 4, p1-15, 15p

Oxygenation of endocannabinoids by mammalian lipoxygenase isoforms

Authors: Ivanov, Igor, Kakularam, Kumar R., Shmendel, Elena V., Rothe, Michael, Aparoy, Polamarasetty, Heydeck, Dagmar, Kuhn, Hartmut

Source: In BBA - Molecular and Cell Biology of Lipids June 2021 1866(6)

Application of per-residue energy decomposition to identify the set of amino acids critical for in silico prediction of COX-2 inhibitory activity

Authors: Chaudhary, Neha ^a, Aparoy, Polamarasetty ^{a, b, ∗}

Source: In Heliyon October 2020 6(10)

MM-PBSA and per-residue decomposition energy studies on 7-Phenyl-imidazoquinolin-4(5H)-one derivatives: Identification of crucial site points at microsomal prostaglandin E synthase-1 (mPGES-1) active site

Authors: Gupta, Ashish, Chaudhary, Neha, Aparoy, Polamarasetty

Source: In International Journal of Biological Macromolecules November 2018 119:352-359

Role of Topological, Electronic, Geometrical, Constitutional and Quantum Chemical Based Descriptors in QSAR: mPGES-1 as a Case Study

Authors: Gupta, Ashish, Kumar, Virender, Aparoy, Polamarasetty

Source: Current topics in medicinal chemistry. 18(13):1075-1090

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100096565718.0x000001&indx=1&recIds=ETOCvdc_100096565718.0x000001

Insights into the structure activity relationship of mPGES-1 inhibitors: Hints for better inhibitor design

Authors: Gupta, Ashish, Aparoy, Polamarasetty

Source: In International Journal of Biological Macromolecules July 2016 88:624-632

Deciphering the mechanism behind the varied binding activities of COXIBs through Molecular Dynamic Simulations, MM-PBSA binding energy calculations and per-residue energy decomposition studies

Authors: Chaudhary, Neha, Aparoy, Polamarasetty

Source: Journal of biomolecular structure & dynamics. 35(4):868-882

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100048795406.0x000001&indx=1&recIds=ETOCvdc_100048795406.0x000001

Understanding the Dual Inhibition of COX-2 and Carbonic Anhydrase-II by Celecoxib and CG100649 Using Density Functional Theory Calculations and other Molecular Modelling Approaches

Authors: Singh, Omkar, Kakularam, Kumar R., Reddanna, Pallu, Aparoy, Polamarasetty

Source: Protein & peptide letters. 22(10):903-912

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCETOCvdc_100027055385.0x000001&indx=1&recIds=ETOCETOCvdc_100027055385.0x000001

Discovery and biological evaluation of novel 1,4-benzoquinone and related resorcinol derivatives that inhibit 5-lipoxygenase

Authors: Filosa, Rosanna, Peduto, Antonella, Aparoy, Polamarasetty, Schaible, Anja M., Luderer, Susann, Krauth, Verena, Petronzi, Carmen, Massa, Antonio, de Rosa, Mario, Reddanna, Pallu, Werz, Oliver

Source: In European Journal of Medicinal Chemistry September 2013 67:269-279

Bony Fish Arachidonic Acid 15-Lipoxygenases Exhibit Different Catalytic Properties than Their Mammalian Orthologs, Suggesting Functional Enzyme Evolution during Vertebrate Development.

Authors: Roigas, Sophie, Kakularam, Kumar R., Rothe, Michael, Heydeck, Dagmar, Aparoy, Polamarasetty, Kuhn, Hartmut

Source: International Journal of Molecular Sciences; Sep2023, Vol. 24 Issue 18, p14154, 23p

Subject Terms: OSTEICHTHYES, ARACHIDONIC acid, VERTEBRATES, ENZYMES, HUMAN genome, BIOCATALYSIS

Structure based drug design, synthesis and evaluation of 4-(benzyloxy)-1-phenylbut-2-yn-1-ol derivatives as 5-lipoxygenase inhibitors

Authors: Reddy, Nimmanapalli P., Chandramohan Reddy, T., Aparoy, Polamarasetty, Achari, Chandrani, Sridhar, P. Ramu, Reddanna, Pallu

Source: In European Journal of Medicinal Chemistry 2012 47:351-359

Structure and Ligand Based Drug Design Strategies in the Development of Novel 5- LOX Inhibitors

Authors: Aparoy, Polamarasetty, Kumar Reddy, Kakularam, Reddanna, Pallu

Source: Current medicinal chemistry. 19(22):3763-3778

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100083449386.0x000001&indx=1&recIds=ETOCvdc_100083449386.0x000001

Identification of a developmentally and hormonally regulated Delta-Class glutathione S-transferase in rice moth Corcyra cephalonica

Authors: Gullipalli, Damodar, Arif, Abul, Aparoy, Polamarasetty, Svenson, Gavin J., Whiting, Michael F., Reddanna, Pallu, Dutta-Gupta, Aparna

Source: In Comparative Biochemistry and Physiology, Part B 2010 156(1):33-39

Functional Interpretation of a Non-Gut Hemocoelic Tissue Aminopeptidase N (APN) in a Lepidopteran Insect Pest Achaea janata.

Authors: Ningshen, Thuirei Jacob¹, Aparoy, Polamarasetty² apdgsl@uohyd.ernet.in, Ventaku, Venkat Rao¹, Dutta-Gupta, Aparna¹

Source: PLoS ONE. Nov2013, Vol. 8 Issue 11, p1-11. 11p.

Subject Terms: *ALANINE aminopeptidase, *LEPIDOPTERA, *INSECT pests, *AMINOPEPTIDASES, *METALLOPROTEINASES, *LOW-protein diet

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