Search Results - "Kalra, Sourav"

THPdb: Database of FDA-approved peptide and protein therapeutics by Usmani, Salman Sadullah, Bedi, Gursimran, Samuel, Jesse S, Singh, Sandeep, Kalra, Sourav, Kumar, Pawan, Ahuja, Anjuman Arora, Sharma, Meenu, Gautam, Ankur, Raghava, Gajendra P S

“…THPdb (http://crdd.osdd.net/raghava/thpdb/) is a manually curated repository of Food and Drug Administration (FDA) approved therapeutic peptides and proteins…”
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Medicinal Perspective of Indole Derivatives: Recent Developments and Structure-Activity Relationship Studies by Kumar, Devendra, Sharma, Sahil, Kalra, Sourav, Singh, Gurpreet, Monga, Vikramdeep, Kumar, Bhupinder

“…Heterocyclic compounds play a significant role in various biological processes of the human body and many of them are in clinical use due to their diverse,…”
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Rationalization of the activity Profile of Pyruvate Kinase Isozyme M2 (PKM2) Inhibitors using 3D QSAR by Kusuma, Merugumala, Arora, Sahil, Kalra, Sourav, Chaturvedi, Anuhar, Heuser, Michael, Kumar, Raj

“…Pyruvate kinase isozyme M2 (PKM2) was observed to be overexpressed and play a key role in cell growth and cancer cells' metabolism. During the past years,…”
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Role of Genomic Alterations in HER2 Positive Breast Carcinoma: Focus on Susceptibility and Trastuzumab-therapy by Singla, Heena, Kalra, Sourav, Kheterpal, Preeti, Kumar, Vinod, Munshi, Anjana

“…Breast cancer is the most frequently diagnosed life-threatening malignancy among women, across the globe. HER2 positive is a distinct breast cancer subtype, on…”
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Knoevenagel/Tandem Knoevenagel and Michael Adducts of Cyclohexane-1,3-dione and Aryl Aldehydes: Synthesis, DFT Studies, Xanthine Oxidase Inhibitory Potential, and Molecular Modeling by Arora, Sahil, Joshi, Gaurav, Kalra, Sourav, Wani, Aabid Abdullah, Bharatam, Prasad V, Kumar, Pradeep, Kumar, Raj

“…Xanthine oxidase (XO) plays a crucial role in the formation of uric acid by oxidative hydroxylation of purines. Herein, we report the design and synthesis of…”
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Nanotechnology for COVID-19: Therapeutics and Vaccine Research by Chauhan, Gaurav, Madou, Marc J, Kalra, Sourav, Chopra, Vianni, Ghosh, Deepa, Martinez-Chapa, Sergio O

“…The current global health threat by the novel coronavirus disease 2019 (COVID-19) requires an urgent deployment of advanced therapeutic options available. The…”
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Structural insights of cyclin dependent kinases: Implications in design of selective inhibitors by Kalra, Sourav, Joshi, Gaurav, Munshi, Anjana, Kumar, Raj

“…There are around 20 Cyclin-dependent kinases (CDKs) known till date, and various research groups have reported their role in different types of cancer. The…”
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Flavonoids as P-glycoprotein inhibitors for multidrug resistance in cancer: an in-silico approach by Kumar, Amit, Kalra, Sourav, Jangid, Kailash, Jaitak, Vikas

“…Cancer has become a leading cause of mortality due to non-communicable diseases after cardiovascular disease worldwide and is increasing day by day at a…”
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Is highly expressed ACE 2 in pregnant women “a curse” in times of COVID-19 pandemic? by Dhaundiyal, Ankit, Kumari, Puja, Jawalekar, Snehal Sainath, Chauhan, Gaurav, Kalra, Sourav, Navik, Umashanker

“…Angiotensin-converting enzyme 2 (ACE 2) is a membrane-bound enzyme that cleaves angiotensin II (Ang II) into angiotensin (1–7). It also serves as an important…”
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Toward an Understanding of Structural Insights of Xanthine and Aldehyde Oxidases: An Overview of their Inhibitors and Role in Various Diseases by Kumar, Raj, Joshi, Gaurav, Kler, Harveen, Kalra, Sourav, Kaur, Manpreet, Arya, Ramandeep

“…Almost all drug molecules become the substrates for oxidoreductase enzymes, get metabolized into more hydrophilic products and eliminated from the body. These…”
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Investigation of indole functionalized pyrazoles and oxadiazoles as anti-inflammatory agents: Synthesis, in-vivo, in-vitro and in-silico analysis by Kumar, Devendra, Kumar, Ravi Ranjan, Pathania, Shelly, Singh, Pankaj Kumar, Kalra, Sourav, Kumar, Bhupinder

“…[Display omitted] •Total 12 indole-3-subtituted pyrazoline and oxazole derivatives were synthesized.•These compounds were evaluated for in vivo and in vitro…”
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Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies by Mishra, Shashank Shekhar, Ranjan, Shashi, Sharma, Chandra Shekhar, Singh, Hemendra Pratap, Kalra, Sourav, Kumar, Neeraj

“…Despite the intensive research efforts towards antiviral drug against COVID-19, no potential drug or vaccines has not yet discovered. Initially, the binding…”
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Design, synthesis, biological evaluation of 3,5-diaryl-4,5-dihydro-1H-pyrazole carbaldehydes as non-purine xanthine oxidase inhibitors: Tracing the anticancer mechanism via xanthine oxidase inhibition by Joshi, Gaurav, Sharma, Manisha, Kalra, Sourav, Gavande, Navnath S., Singh, Sandeep, Kumar, Raj

“…[Display omitted] •Xanthine oxidase (XO) inhibitory activity of 3,5-diaryl-4,5-dihydro-1H-pyrazole carbaldehyde (2a-2x) was performed.•Compounds, 2b and 2m…”
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Design, synthesis and evaluation of piperazine clubbed 1,2,4-triazine derivatives as potent anticonvulsant agents by Pal, Rohit, Jawaid Akhtar, Md, Raj, Khadga, Singh, Shamsher, Sharma, Priyanka, Kalra, Sourav, Chawla, Pooja A., Kumar, Bhupinder

“…•A new series of triazine clubbed piperazine derivatives was synthesized.•Two compounds RP4, and (RP5) showed most potent anticonvulsant activity in both MES…”
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A perspective on potential target proteins of COVID-19: Comparison with SARS-CoV for designing new small molecules by Kumar, Devendra, Chauhan, Gaurav, Kalra, Sourav, Kumar, Bhupinder, Gill, Manjinder Singh

“…[Display omitted] •COVID-19 created an unprecedented medical and economic crisis all over the world.•Spike protein, RNA dependent RNA polymerase and Mpro…”
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Recent advancements in mechanistic studies and structure activity relationship of FoF1 ATP synthase inhibitor as antimicrobial agent by Narang, Rakesh, Kumar, Raj, Kalra, Sourav, Nayak, Surendra Kumar, Khatik, Gopal L., Kumar, Gadekula Naresh, Sudhakar, Kalvatala, Singh, Sachin Kumar

“…The emergence of drug resistance in infectious microbial strains can be overcome by development of novel drug molecules against unexploited microbial target…”
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Mechanism-Based Inactivation of Cytochromes by Furan Epoxide: Unraveling the Molecular Mechanism by Taxak, Nikhil, Kalra, Sourav, Bharatam, Prasad V

“…Drugs carrying an unsaturated CC center (such as furans) form reactive epoxide metabolites and cause irreversible mechanism-based inactivation (MBI) of…”
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Anticancer potential of some imidazole and fused imidazole derivatives: exploring the mechanism via epidermal growth factor receptor (EGFR) inhibition by Kalra, Sourav, Joshi, Gaurav, Kumar, Manvendra, Arora, Sahil, Kaur, Harsimrat, Singh, Sandeep, Munshi, Anjana, Kumar, Raj

“…Imidazole-based epidermal growth factor receptor (EGFR) inhibitors were computationally designed and synthesized. All the compounds were assessed for their…”
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Pyrimidine containing epidermal growth factor receptor kinase inhibitors: Synthesis and biological evaluation by Joshi, Gaurav, Nayyar, Himanshu, Kalra, Sourav, Sharma, Praveen, Munshi, Anjana, Singh, Sandeep, Kumar, Raj

“…Structure‐based design and synthesis of pyrimidine containing reversible epidermal growth factor receptor (EGFR) inhibitors 1a–d are reported. The compounds…”
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Identification of potential inhibitors of Zika virus targeting NS3 helicase using molecular dynamics simulations and DFT studies by Mishra, Shashank Shekher, Kumar, Neeraj, Karkara, Bidhu Bhusan, Sharma, C. S., Kalra, Sourav

“…Despite the various research efforts towards the drug discovery program for Zika virus treatment, no antiviral drugs or vaccines have yet been discovered. The…”
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