Search Results - "Singh 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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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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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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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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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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