Search Results - "Sarthi, Parth"

Can Duvelisib and Eganelisib work for both cancer and COVID-19? Molecular-level insights from MD simulations and enhanced samplings by Panda, Saroj Kumar, Karmakar, Shaswata, Sen Gupta, Parth Sarthi, Rana, Malay Kumar

“…SARS-CoV-2 has caused severe illness and anxiety worldwide, evolving into more dreadful variants capable of evading the host's immunity. Cytokine storms, led…”
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Computer-aided discovery of bis-indole derivatives as multi-target drugs against cancer and bacterial infections: DFT, docking, virtual screening, and molecular dynamics studies by Gupta, Parth Sarthi Sen, Bhat, Haamid Rasool, Biswal, Satyaranjan, Rana, Malay Kumar

“…Recently, more complex diseases of seemingly incurable pathology have demonstrated the need for potent and multi-target drugs. Specific to many cancers and…”
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Inhibitors of Heptosyltransferase I to prevent heptose transfer against antibiotic resistance of E. coli: Energetics and stability analysis by DFT and molecular dynamics by Bhattacharya, Uddipan, Panda, Saroj Kumar, Gupta, Parth Sarthi Sen, Rana, Malay Kumar

“…•E. coli develops antibiotic resistance for LPS synthesis assisted by HEP I enzyme.•Structure-based pharmacophores were generated from HEP I and…”
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Possible future projection of Indian Summer Monsoon Rainfall (ISMR) with the evaluation of model performance in Coupled Model Inter-comparison Project Phase 5 (CMIP5) by Parth Sarthi, P., Ghosh, Soumik, Kumar, Praveen

“…The Indian Summer Monsoon (ISM) is crucial for agriculture and water resources in India. The large spatial and temporal variability of Indian Summer Monsoon…”
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Inhibitors of Plasmepsin X Plasmodium falciparum: Structure-based pharmacophore generation and molecular dynamics simulation by Panda, Saroj Kumar, Saxena, Shalini, Gupta, Parth Sarthi Sen, Rana, Malay Kumar

“…[Display omitted] •108 million molecules were screened against modelled PMX Plasmodium falciparum.•5 best hits were selected via structure-based pharmacophore…”
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Potential targets of severe acute respiratory syndrome coronavirus 2 of clinical drug fluvoxamine: Docking and molecular dynamics studies to elucidate viral action by Panda, Saroj Kumar, Gupta, Parth Sarthi Sen, Rana, Malay Kumar

“…Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) has continued evolving for survival and adaptation by mutating itself into different variants of…”
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Intrinsic basis of thermostability of prolyl oligopeptidase from Pyrococcus furiosus by Banerjee, Sahini, Gupta, Parth Sarthi Sen, Islam, Rifat Nawaz Ul, Bandyopadhyay, Amal Kumar

“…Salt-bridges play a key role in the thermostability of proteins adapted in stress environments whose intrinsic basis remains to be understood. We find that the…”
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Possible future rainfall over Gangetic Plains (GP), India, in multi-model simulations of CMIP3 and CMIP5 by Parth Sarthi, P., Kumar, Praveen, Ghosh, Soumik

“…The Gangetic Plain (GP) of India is much sensitive to rainfall due to its large spatial and temporal variability, and therefore, Coupled Model Intercomparison…”
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Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery by Ray, Abhik Kumar, Sen Gupta, Parth Sarthi, Panda, Saroj Kumar, Biswal, Satyaranjan, Bhattacharya, Uddipan, Rana, Malay Kumar

“…With numerous infections and fatalities, COVID-19 has wreaked havoc around the globe. The main protease (Mpro), which cleaves the polyprotein to form…”
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Possible future changes in cyclonic storms in the Bay of Bengal, India under warmer climate by Parth Sarthi, P., Agrawal, Anubha, Rana, A.

“…ABSTRACT The aim of this paper is to study the model's simulated frequency, track, intensity and location of cyclonic storms (CSs) and severe cyclonic storms…”
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Anti-HIV potential of diarylpyrimidine derivatives as non-nucleoside reverse transcriptase inhibitors: design, synthesis, docking, TOPKAT analysis and molecular dynamics simulations by Singh, Vishal K., Srivastava, Ritika, Gupta, Parth Sarthi Sen, Naaz, Farha, Chaurasia, Himani, Mishra, Richa, Rana, Malay Kumar, Singh, Ramendra K.

“…In view of the low toxicity of NNRTIs in comparison to NRTIs, a new series of diarylpyrimidine derivatives has been designed as NNRTIs against HIV-1. In silico…”
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Trend analysis for rainfall in Delhi and Mumbai, India by Rana, Arun, Uvo, Cintia Bertacchi, Bengtsson, Lars, Parth Sarthi, P.

“…Urbanisation has burdened cities with many problems associated with growth and the physical environment. Some of the urban locations in India are becoming…”
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Surface Urban Heat Island (SUHI) Over Riverside Cities Along the Gangetic Plain of India by Barat, Archisman, Parth Sarthi, P., Kumar, Sunny, Kumar, Praveen, Sinha, Ashutosh K.

“…Rapid urbanisation in India has led to increased land use and energy demand, and the consequent uncontrolled development and increased human-induced activities…”
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Editorial: Design and development of new therapeutics against infectious diseases using computational and experimental approaches by Brogi, Simone, Sen Gupta, Parth Sarthi, Mishra, Yogendra Kumar

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Designing of a novel multi-epitope peptide based vaccine against Brugia malayi: An in silico approach by Das, Nabarun Chandra, Patra, Ritwik, Gupta, Parth Sarthi Sen, Ghosh, Pratik, Bhattacharya, Manojit, Rana, Malay Kumar, Mukherjee, Suprabhat

“…In spite of the tremendous efforts of the World Health Organization, scientific and medical community to eradicate lymphatic filariasis (LF) within 2020, the…”
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Unmasking an Allosteric Binding Site of the Papain-like Protease in SARS-CoV-2: Molecular Dynamics Simulations of Corticosteroids by Panda, Saroj Kumar, Sen Gupta, Parth Sarthi, Karmakar, Shaswata, Biswal, Satyaranjan, Mahanandia, Nimai Charan, Rana, Malay Kumar

“…To date, mechanistic insights into many clinical drugs against COVID-19 remain unexplored. Dexamethasone, a corticosteroid, is one of them. While treating the…”
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Assessing the impact of MSH3 and MSH6 polymorphisms on lung cancer risk in North Indian patients undergoing platinum chemotherapy through molecular dynamics simulation by Singh, Sidhartha, Singh, Navneet, Gupta, Parth Sarthi Sen, Panda, Saroj Kumar, Dhamija, Isha, Nathiya, Deepak, Kumar, Sandeep, Sharma, Siddharth

“…The present study investigated the relationship between MSH3 and MSH6 genes in lung cancer patients. Genotyping of lung cancer patients and healthy controls…”
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Intraseasonal variability of Indian Summer Monsoon Rainfall in CMIP6 models simulation by Kumar, Praveen, Sarthi, P. Parth

“…The reliability of the projection of Indian Summer Monsoon Rainfall (ISMR) and associated wind circulation in the simulation of the Coupled Climate Models…”
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The necessity of psychological interventions to improve compliance with Tuberculosis treatment and reduce psychological distress by Agarwal, Neeraj, Sarthi, Parth

“…Context: One of the major obstacles in treating TB is the patient's nonadherence to the treatment regimen resulting in prolonged disease transmission and…”
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Salt-bridge energetics in halophilic proteins by Nayek, Arnab, Sen Gupta, Parth Sarthi, Banerjee, Shyamashree, Mondal, Buddhadev, Bandyopadhyay, Amal K

“…Halophilic proteins have greater abundance of acidic over basic and very low bulky hydrophobic residues. Classical electrostatic stabilization was suggested as…”
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