8 Papers
Lijo John is an academic researcher from Indian Institute of Chemical Technology. The author has contributed to research in topics: Virtual screening & Computer science. The author has an hindex of 2, co-authored 3 publications. Previous affiliations of Lijo John include Academy of Scientific and Innovative Research.
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Papers
Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis $$(\mathbf{MPDS}^{\mathbf{TB}})$$ ( MPDS TB )
Anamika Singh Gaur,Anshu Bhardwaj,Arun Sharma,Lijo John,M Ram Vivek,Neha Tripathi,Prasad V. Bharatam,Rakesh Kumar,Sridhara Janardhan,Abhaysinh Mori,Anirban Banerji,Andrew M. Lynn,Anmol J. Hemrom,Anurag Passi,Aparna Singh,Asheesh Kumar,Charuvaka Muvva,Chinmai Madhuri,Chinmayee Choudhury,D Arun Kumar,Deepak Pandit,Deepak R. Bharti,Devesh Kumar,E. R. Azhagiya Singam,Gajendra Ps Raghava,Hari Sailaja,Harish Jangra,Kaamini Raithatha,Karunakar Tanneeru,Kumardeep Chaudhary,M. Karthikeyan,M Prasanthi,Nandan Kumar,N Yedukondalu,Neeraj Kumar Rajput,P Sri Saranya,Pankaj Narang,Prasun Dutta,R. Venkata Krishnan,Reetu Sharma,R Srinithi,Ruchi Mishra,S Hemasri,Sandeep Singh,Subramanian Venkatesan,Suresh Kumar,Uca Jaleel,Vijay M. Khedkar,Yogesh M. Joshi,G. Narahari Sastry +49 more
TL;DR: A web-based web tool designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb) and can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular.
Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds.
Lijo John,Lijo John,Yarasi Soujanya,Yarasi Soujanya,Hridoy Jyoti Mahanta,Hridoy Jyoti Mahanta,G. Narahari Sastry,G. Narahari Sastry +7 more
TL;DR: In this paper, a set of 2358 antiviral compounds were compiled from the CAS COVID-19 antiviral SAR dataset whose activity was reported based on IC50 value, and the most highly correlated descriptors were selected using Tree-based, Correlation-based and Mutual information-based feature selection methods.
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Towards systematic exploration of chemical space: building the fragment library module in molecular property diagnostic suite
Anamika Singh Gaur,Lijo John,Nandan Kumar,M Ram Vivek,Selvaraman Nagamani,Hridoy Jyoti Mahanta,G. Narahari Sastry +6 more
TL;DR: In this paper , a fragment-based drug discovery (FBDD) approach has traditionally been of utmost significance in drug design studies, which allows the exploration of large chemical space to find novel scaffolds and chemotypes which can be improved into selective inhibitors with good affinity.
Analyzing the cation-aromatic interactions in proteins: Cation-aromatic database V2.0.
Yenamareddy Bhargav Kumar,Nandan Kumar,Lijo John,Hridoy Jyoti Mahanta,S. Vaikundamani,Selvaraman Nagamani,G. Sastry,G. Sastry +7 more
TL;DR: An update of CAD that contains information of approximately 27.26 million cation‐aromatic motifs found in experimentally determined protein structures revealed that the HIS‐HIS, PHE‐ARG, and TRP‐ARG pairs exhibited a preferential geometry.
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Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal
L. Priyadarsinee,Esther Jamir,Selvaraman Nagamani,Hridoy Jyoti Mahanta,Lijo John,Himakshi Sarma,Asheesh Kumar,Anamika Singh Gaur,Rosaleen Sahoo,S. Vaikundamani,Natarajan Arul Murugan,U. Deva Priyakumar,Gajendra P. S. Raghava,Prasad V. Bharatam,Ramakrishnan Parthasarathi,V. Subramanian,G. Sastry,G. N. Sastry +17 more
TL;DR: MPDSCOVID-19 is an open-source drug discovery platform for COVID-19 that provides a one-stop solution for researchers. It includes various tools and workflows, updated after six years, and aims to facilitate transparent and open innovation.
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