Search Results - "Yadav, Rohitash"

Role of Structural and Non-Structural Proteins and Therapeutic Targets of SARS-CoV-2 for COVID-19 by Yadav, Rohitash, Chaudhary, Jitendra Kumar, Jain, Neeraj, Chaudhary, Pankaj Kumar, Khanra, Supriya, Dhamija, Puneet, Sharma, Ambika, Kumar, Ashish, Handu, Shailendra

“…Coronavirus belongs to the family of Coronaviridae, comprising single-stranded, positive-sense RNA genome (+ ssRNA) of around 26 to 32 kilobases, and has been…”
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A comprehensive exploration of pharmacological properties, bioactivities and inhibitory potentiality of luteolin from Tridax procumbens as anticancer drug by in-silico approach by Lakhera, Shradha, Rana, Meenakshi, Devlal, Kamal, Celik, Ismail, Yadav, Rohitash

“…Tridax procumbens is a flowering plant of the Asteraceae family with a wide range of medicinal uses like anti-inflammatory, anti-diabetic, anti-microbial,…”
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Identification and in-vitro analysis of potential proteasome inhibitors targeting PSMβ5 for multiple myeloma by Yadav, Rohitash, Nath, Uttam Kumar, Celik, Ismail, Handu, Shailendra, Jain, Neeraj, Dhamija, Puneet

“…The proteasome subunit β5 (PSMβ5) is a chief target of proteasome inhibitors (PIs) for treatment of multiple myeloma (MM). The relevance of PSMβ5 mutations and…”
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Interactions of the Receptor Binding Domain of SARS-CoV-2 Variants with hACE2: Insights from Molecular Docking Analysis and Molecular Dynamic Simulation by Celik, Ismail, Yadav, Rohitash, Duzgun, Zekeriya, Albogami, Sarah, El-Shehawi, Ahmed M., Fatimawali, Fatimawali, Idroes, Rinaldi, Tallei, Trina Ekawati, Emran, Talha Bin

“…Since the beginning of the coronavirus 19 (COVID-19) pandemic in late 2019, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been evolving…”
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Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies by Mary, Y. Sheena, Mary, Y. Shyma, Resmi, K. S., Sarala, S., Yadav, Rohitash, Celik, Ismail

“…This study explains the vibration and interaction of three pharmaceutically active hydrazine derivatives,…”
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Identification of bioactive molecules from Triphala (Ayurvedic herbal formulation) as potential inhibitors of SARS-CoV-2 main protease (Mpro) through computational investigations by Rudrapal, Mithun, Celik, Ismail, Khan, Johra, Ansari, Mohammad Azam, Alomary, Mohammad N., Alatawi, Fuad Abdullah, Yadav, Rohitash, Sharma, Tripti, Tallei, Trina Ekawati, Pasala, Praveen Kumar, Sahoo, Ranjan Kumar, Khairnar, Shubham J., Bendale, Atul R., Zothantluanga, James H., Chetia, Dipak, Walode, Sanjay G.

“…[Display omitted] Severe acute respiratory syndrome coronavirus disease (SARS-CoV-2) induced coronavirus disease 2019 (COVID-19) pandemic is the present…”
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Sustained Delivery of Rifampicin Nanoformulation Administration Intravitreally Into Rabbit Eyes for Ocular Tuberculosis by Yadav, Rohitash, Tiwari, Chakrmani, Kumar, Vinod, Pandey, Avaneesh, Kondel, Ritika, Shafiq, Nushrat

“…Diagnosis and treatment of ocular tuberculosis is very challenging. It poses a significant and potential management dilemma after diagnosis as a primary,…”
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DFT, docking, MD simulation, and vibrational spectra with SERS analysis of a benzoxazole derivative: an anti-cancerous drug by Sheena Mary, Y., Shyma Mary, Y., Temiz-Arpaci, Ozlem, Yadav, Rohitash, Celik, Ismail

“…Spectroscopic, DFT, and SERS studies of antimicrobial bioactive 2-(p-bromophenyl)-5-(2-(4-(p-chlorophenyl)piperazine-1-yl)acetamido)benzoxazole (BCAB) have…”
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Insights into COVID-19 Vaccine Development Based on Immunogenic Structural Proteins of SARS-CoV-2, Host Immune Responses, and Herd Immunity by Chaudhary, Jitendra Kumar, Yadav, Rohitash, Chaudhary, Pankaj Kumar, Maurya, Anurag, Kant, Nimita, Rugaie, Osamah Al, Haokip, Hoineiting Rebecca, Yadav, Deepika, Roshan, Rakesh, Prasad, Ramasare, Chatrath, Apurva, Singh, Dharmendra, Jain, Neeraj, Dhamija, Puneet

“…The first quarter of the 21st century has remarkably been characterized by a multitude of challenges confronting human society as a whole in terms of several…”
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Host Cell and SARS-CoV-2-Associated Molecular Structures and Factors as Potential Therapeutic Targets by Chaudhary, Jitendra Kumar, Yadav, Rohitash, Chaudhary, Pankaj Kumar, Maurya, Anurag, Roshan, Rakesh, Azam, Faizul, Mehta, Jyoti, Handu, Shailendra, Prasad, Ramasare, Jain, Neeraj, Pandey, Avaneesh Kumar, Dhamija, Puneet

“…Coronavirus disease 19 (COVID-19) is caused by an enveloped, positive-sense, single-stranded RNA virus, referred to as severe acute respiratory syndrome…”
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Drug information services in low-resource setting: a responsibility of pharmacists or pharmacologists or both the professions conjointly by Patil, Amol, Kumar, M, Yadav, Rohitash, Kosey, Sourabh, Behl, Tapan, Kumaravel, J

“…Objective: The objective of this study was to assess the pharmacy professionals' understanding and viewpoints on drug information center (DIC) services and…”
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Virtual screening and dynamics of potential inhibitors targeting RNA binding domain of nucleocapsid phosphoprotein from SARS-CoV-2 by Yadav, Rohitash, Imran, Mohammed, Dhamija, Puneet, Suchal, Kapil, Handu, Shailendra

“…The emergence of the coronavirus disease-2019 pandemic has led to an outbreak in the world. The SARS-CoV-2 is seventh and latest in coronavirus family with…”
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In silico screening of hundred phytocompounds of ten medicinal plants as potential inhibitors of nucleocapsid phosphoprotein of COVID-19: an approach to prevent virus assembly by Rolta, Rajan, Yadav, Rohitash, Salaria, Deeksha, Trivedi, Shubham, Imran, Mohammad, Sourirajan, Anuradha, Baumler, David J., Dev, Kamal

“…Currently, there is no specific treatment to cure COVID-19. Many medicinal plants have antiviral, antioxidant, antibacterial, antifungal, anticancer, wound…”
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Theoretical investigation on the reactive and interaction properties of sorafenib – DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation by Mary, Y. Sheena, Mary, Y. Shyma, Rad, Ali Shokuhi, Yadav, Rohitash, Celik, Ismail, Sarala, S.

“…Hepatocellular carcinoma is one of the severe types of malignancy characterized by rapid tumor growth and is mostly found in the last stage of very advanced…”
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Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2 by Yadav, Rohitash, Imran, Mohammed, Dhamija, Puneet, Chaurasia, Dheeraj Kumar, Handu, Shailendra

“…The coronavirus disease-2019 caused by a novel SARS CoV-2 virus has emerged as a global threat. Still, no drugs are available for its treatment. The main…”
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Structural and reactivity studies of pravadoline –An ionic liquid, with reference to its wavefunction-relative properties using DFT and MD simulation by Al-Otaibi, Jamelah S., Mary, Y. Sheena, Mary, Y. Shyma, Yadav, Rohitash

“…•MEP - Reactivity properties•LOL and ELF – Analysis•Spectroscopic analysis•MD simulations and docking predicts pharmacological property Pharmaceuticals are…”
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Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations by Mary, Y. Sheena, Mary, Y. Shyma, Armaković, Stevan, Armaković, Sanja J., Yadav, Rohitash, Celik, Ismail, Mane, Pratap, Chakraborty, Brahmananda

“…[Display omitted] •Molecular descriptors to identify the most reactive parts of bioactive molecules, brucine and colchicine.•Affinity on D-lactate…”
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Dostarlimab: Review on success story and clinical trials by Yadav, Rohitash, Mathur, Ishita, Haokip, Hoineiting Rebecca, Pandey, Avaneesh K., Kumar, Vinod, Jain, Neeraj

“…The PD-1/PD-L1 pathway plays a significant role in inhibiting, escaping from immune response, and promoting self-tolerance of the tumour. Dostarlimab is a…”
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Synthesis, molecular modeling, quantum mechanical calculations and ADME estimation studies of benzimidazole-oxadiazole derivatives as potent antifungal agents by Çevik, Ulviye Acar, Celik, Ismail, Işık, Ayşen, Pillai, Renjith Raveendran, Tallei, Trina Ekawati, Yadav, Rohitash, Özkay, Yusuf, Kaplancıklı, Zafer Asım

“…•Compounds 4a and 4b are the most effective derivatives.•Molecular docking studies of compounds were performed at the active site of 14-alpha demethylase and…”
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Adsorption properties of dacarbazine with graphene/fullerene/metal nanocages – Reactivity, spectroscopic and SERS analysis by Al-Otaibi, Jamelah S., Mary, Y. Sheena, Mary, Y. Shyma, Ullah, Zakir, Yadav, Rohitash, Gupta, Nitin, Churchill, David G.

“…[Display omitted] •Enhancement of the bioactivity with nanocluster systems.•Charge distribution of all systems is an evidence for chemical enhancement.•Highest…”
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