Search Results - "Mathew, Alen T."

Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study by Das, Bhanuranjan, Mathew, Alen T., Baidya, Anurag T. K., Devi, Bharti, Salmon, Rahul Rampa, Kumar, Rajnish

“…Alzheimer’s disease (AD) is a severe, growing, multifactorial disorder affecting millions of people worldwide characterized by cognitive decline and…”
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Structural modification aimed for improving solubility of lead compounds in early phase drug discovery by Das, Bhanuranjan, Baidya, Anurag T.K., Mathew, Alen T., Yadav, Ashok Kumar, Kumar, Rajnish

“…[Display omitted] Many lead compounds fail to reach clinical trials despite being potent because of low bioavailability attributed to their insufficient…”
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N‐glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study by Mathew, Alen T., Baidya, Anurag T. K., Das, Bhanuranjan, Devi, Bharti, Kumar, Rajnish

“…Various posttranslational modifications like hyperphosphorylation, O‐GlcNAcylation, and acetylation have been attributed to induce the abnormal folding in tau…”
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Exploration of Novel Lichen Compounds as Inhibitors of SARS-CoV-2 Mpro: Ligand-Based Design, Molecular Dynamics, and ADMET Analyses by Gupta, Amit, Sahu, Niharika, Singh, Ashish P., Singh, Vinay Kumar, Singh, Suresh C., Upadhye, Vijay J., Mathew, Alen T., Kumar, Rajnish, Sinha, Rajeshwar P.

“…In the year 2019–2020, the whole world witnessed the spread of a disease called COVID-19 caused by SARS-CoV-2. A number of effective drugs and vaccine has been…”
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Deep learning tools for advancing drug discovery and development by Nag, Sagorika, Baidya, Anurag T. K., Mandal, Abhimanyu, Mathew, Alen T., Das, Bhanuranjan, Devi, Bharti, Kumar, Rajnish

“…A few decades ago, drug discovery and development were limited to a bunch of medicinal chemists working in a lab with enormous amount of testing, validations,…”
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Catalyzing a Cure: Discovery and development of LRRK2 inhibitors for the treatment of Parkinson’s disease by Baidya, Anurag TK, Deshwal, Sonam, Das, Bhanuranjan, Mathew, Alen T, Devi, Bharti, Sandhir, Rajat, Kumar, Rajnish

“…[Display omitted] •Update on novel Leucine-rich repeat kinase 2 inhibitors against Parkinson's disease.•Progress in Parkinson's therapy with Leucine-rich…”
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