Nandan Kumar
Indian Institute of Chemical Technology
16 Papers
9 Citations
Nandan Kumar is an academic researcher from Indian Institute of Chemical Technology. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 2, co-authored 5 publications. Previous affiliations of Nandan Kumar include Academy of Scientific and Innovative Research.
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Papers
Towards developing a criterion to characterize non-covalent bonds: a quantum mechanical study.
Nandan Kumar,Nandan Kumar,Soumen Saha,Soumen Saha,G. Narahari Sastry,G. Narahari Sastry,G. Narahari Sastry +6 more
TL;DR: In this article, a special criterion has been developed based on the topological parameters to characterize an interaction as a non-covalent bond, which is likely to be very helpful to comprehend and ascertain the non covalent bonds in the chemical as well as complex biological systems.
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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.
Repurposing of approved drug molecules for viral infectious diseases: a molecular modelling approach.
Nandan Kumar,Nandan Kumar,Himakshi Sarma,G. Narahari Sastry,G. Narahari Sastry,G. Narahari Sastry +5 more
TL;DR: In this article, a drug repurposing strategy using molecular modelling techniques, i.e., biological activity prediction, virtual screening, and molecular dynamics simulation was employed to find promising repurpose candidates for viral infectious diseases.
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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.
Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study
TL;DR: In this article , the authors employed reliable quantum chemical computations to assess the nature, binding strength, and selectivity of ionic, and neutral guests with benzenoid hosts and found that alkali and ammonium ions are in the hydrophobic cavity, while halide ions are outside, while both complexes elicit substantial binding energy.
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