Search Results - "Gaur, Anamika"

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing by Madugula, Sita Sirisha, John, Lijo, Nagamani, Selvaraman, Gaur, Anamika Singh, Poroikov, Vladimir V., Sastry, G. Narahari

“…Machine learning and data-driven approaches are currently being widely used in drug discovery and development due to their potential advantages in…”
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Molecular Property Diagnostic Suite for COVID-19 (MPDS COVID-19 ): an open-source disease-specific drug discovery portal by Priyadarsinee, Lipsa, Jamir, Esther, Nagamani, Selvaraman, Mahanta, Hridoy Jyoti, Kumar, Nandan, John, Lijo, Sarma, Himakshi, Kumar, Asheesh, Gaur, Anamika Singh, Sahoo, Rosaleen, Vaikundamani, S, Murugan, N Arul, Priyakumar, U Deva, Raghava, G P S, Bharatam, Prasad V, Parthasarathi, Ramakrishnan, Subramanian, V, Sastry, G Madhavi, Sastry, G Narahari

“…Molecular Property Diagnostic Suite (MPDS) was conceived and developed as an open-source disease-specific web portal based on Galaxy. MPDS was developed for…”
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The complex metabolism of trimethylamine in humans: endogenous and exogenous sources by Chhibber-Goel, Jyoti, Gaur, Anamika, Singhal, Varsha, Parakh, Neeraj, Bhargava, Balram, Sharma, Amit

“…Trimethylamine (TMA) is a tertiary amine with a characteristic fishy odour. It is synthesised from dietary constituents, including choline, L-carnitine,…”
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A perspective on the nature of cation-π interactions by Kumar, Nandan, Gaur, Anamika Singh, Sastry, G Narahari

“…Recent years have witnessed a remarkable surge in the study of noncovalent interactions and their role in diverse areas of chemistry, biology, material science…”
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Computational screening for investigating the synergistic regulatory potential of drugs and phytochemicals in combination with 2-deoxy-D-glucose against SARS-CoV-2 by Gupta, Anshika, Chauhan, Shweta Singh, Gaur, Anamika Singh, Parthasarathi, Ramakrishnan

“…COVID-19 disease caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) was declared a global pandemic by the World Health Organization (WHO)…”
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β-Lactamase of Mycobacterium tuberculosis Shows Dynamics in the Active Site That Increase upon Inhibitor Binding by Elings, Wouter, Gaur, Anamika, Blok, Anneloes J, Timmer, Monika, van Ingen, Hugo, Ubbink, Marcellus

“…The β-lactamase BlaC is a broad-spectrum β-lactamase that can convert a range of β-lactam antibiotics. Enzymes with low specificity are expected to exhibit…”
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Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite by Gaur, Anamika Singh, John, Lijo, Kumar, Nandan, Vivek, M. Ram, Nagamani, Selvaraman, Mahanta, Hridoy Jyoti, Sastry, G. Narahari

“…A fragment-based drug discovery (FBDD) approach has traditionally been of utmost significance in drug design studies. It allows the exploration of large…”
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Cytokines inhibitory mechanism of Prunus domestica L. (Plum) peptides as potential immunomodulators against systemic lupus erythematosus: an in-silico screening by Gupta, Anshika, Jamal, Tanya, Rajbhar, Priyanka, Gaur, Anamika Singh, Chauhan, Shweta Singh, Parthasarathi, Ramakrishnan

“…Natural bioactive peptides exhibit various chemical and structural properties to enhance the immune response against multiple inflammatory and autoimmune…”
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Notch–Jagged signaling complex defined by an interaction mosaic by Zeronian, Matthieu R., Klykov, Oleg, de Montserrat, Júlia Portell i, Konijnenberg, Maria J., Gaur, Anamika, Scheltema, Richard A., Janssen, Bert J. C.

“…The Notch signaling system links cellular fate to that of its neighbors, driving proliferation, apoptosis, and cell differentiation in metazoans, whereas…”
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Galaxy for open-source computational drug discovery solutions by Singh Gaur, Anamika, Nagamani, Selvaraman, Priyadarsinee, Lipsa, Mahanta, Hridoy J, Parthasarathi, Ramakrishnan, Sastry, G Narahari

“…Drug discovery in academia and industry poses contrasting challenges. While academia focuses on producing new knowledge, industry is keen on product…”
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Molecular property diagnostic suite for diabetes mellitus (MPDSDM): An integrated web portal for drug discovery and drug repurposing by Gaur, Anamika Singh, Nagamani, Selvaraman, Tanneeru, Karunakar, Druzhilovskiy, Dmitry, Rudik, Anastassia, Poroikov, Vladimir, Narahari Sastry, G.

“…[Display omitted] •Developed an open source diabetes-specific web portal along with drug discovery tools.•Developed a diabetes gene database.•Drug repurposing…”
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Applying polypharmacology approach for drug repurposing for SARS-CoV2 by Jamir, Esther, Sarma, Himakshi, Priyadarsinee, Lipsa, Nagamani, Selvaraman, Kiewhuo, Kikrusenuo, Gaur, Anamika Singh, Rawal, Ravindra K, Murugan, Natarajan Arul, Subramanian, Venkatesan, Sastry, G Narahari

“…Exploring the new therapeutic indications of known drugs for treating COVID-19, popularly known as drug repurposing, is emerging as a pragmatic approach…”
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Structure–Function Analysis of Liver Flavin Monooxygenase 3 that Drives Trimethylaminuria in Humans by Chhibber-Goel, Jyoti, Singhal, Varsha, Gaur, Anamika, Yogavel, Manickam, Sharma, Amit

“…Mutations in human flavin monooxygenase-3 (hFMO3) enzyme have been implicated in the rare autosomal recessive disorder called trimethylaminuria (TMAU). In this…”
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Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis (MPDSTB) by Gaur, Anamika Singh, Bhardwaj, Anshu, Sharma, Arun, John, Lijo, Vivek, M Ram, Tripathi, Neha, Bharatam, Prasad V, Kumar, Rakesh, Janardhan, Sridhara, Mori, Abhaysinh, Banerji, Anirban, Lynn, Andrew M, Hemrom, Anmol J, Passi, Anurag, Singh, Aparna, Kumar, Asheesh, Muvva, Charuvaka, Madhuri, Chinmai, Choudhury, Chinmayee, Kumar, D Arun, Pandit, Deepak, Bharti, Deepak R., Kumar, Devesh, Singam, ER Azhagiya, Raghava, Gajendra PS, Sailaja, Hari, Jangra, Harish, Raithatha, Kaamini, Tanneeru, Karunakar, Chaudhary, Kumardeep, Karthikeyan, M, Prasanthi, M, Kumar, Nandan, Yedukondalu, N, Rajput, Neeraj K, Saranya, P Sri, Narang, Pankaj, Dutta, Prasun, Krishnan, R Venkata, Sharma, Reetu, Srinithi, R, Mishra, Ruchi, Hemasri, S, Singh, Sandeep, Venkatesan, Subramanian, Kumar, Suresh, Jaleel, Uca, Khedkar, Vijay, Joshi, Yogesh, Sastry, G Narahari

“…Molecular Property Diagnostic Suite ( MPDS TB ) is a web tool ( http://mpds.osdd.net ) designed to assist the in silico drug discovery attempts towards…”
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