Docking-MM-GB/SA and ADME Screening of HIV-1 NNRTI Inhibitor: Nevirapine and its Analogues. - Dipankar Sengupta; Deeptak Verma; Pradeep Kumar Naik (Silico Biol., 2008)

Molecular modelling evaluation of the cytotoxic activity of podophyllotoxin analogues. - Md. Afroz Alam; Pradeep Kumar Naik (J. Comput. Aided Mol. Des., 2009)

A Case Tool for Prediction of Squamousal Cancerous and Non-Cancerous Cells using DIP and ANN. - Nitin 001; Pradeep Kumar Naik; Anitya Nijhara; Shantanu Agarwal; Ayush Agarwal; Shweta Malik; Ujjawal Khandelwal (BIOCOMP, 2010)

Computational Identification of Sweet Wormwood (Artemisia annua) microRNA and Their mRNA Targets. - Alok Pani; Rajani Kanta Mahapatra; Niranjan Behera; Pradeep Kumar Naik (Genom. Proteom. Bioinform., 2011)

Rational design, synthesis and biological evaluations of amino-noscapine: a high affinity tubulin-binding noscapinoid. - Pradeep Kumar Naik; Biswa Prasun Chatterji; Surya N. Vangapandu; Ritu Aneja; Ramesh Chandra; Srinivas Kanteveri; Harish C. Joshi (J. Comput. Aided Mol. Des., 2011)

In silico inspired design and synthesis of a novel tubulin-binding anti-cancer drug: folate conjugated noscapine (Targetin). - Pradeep Kumar Naik; Manu Lopus; Ritu Aneja; Surya N. Vangapandu; Harish C. Joshi (J. Comput. Aided Mol. Des., 2012)

SN algorithm: analysis of temporal clinical data for mining periodic patterns and impending augury. - Dipankar Sengupta; Pradeep Kumar Naik (J. Clin. Bioinform., 2013)

Molecular insight into γ-γ tubulin lateral interactions within the γ-tubulin ring complex (γ-TuRC). - Charu Suri; Triscia W. Hendrickson; Harish C. Joshi; Pradeep Kumar Naik (J. Comput. Aided Mol. Des., 2014)

Rational design of biaryl pharmacophore inserted noscapine derivatives as potent tubulin binding anticancer agents. - Seneha Santoshi; Naresh Kumar Manchukonda; Charu Suri; Manya Sharma; Balasubramanian Sridhar; Silja Joseph; Manu Lopus; Srinivas Kantevari; Iswar Baitharu; Pradeep Kumar Naik (J. Comput. Aided Mol. Des., 2015)

Combination of docetaxel and newly synthesized 9-Br-trimethoxybenzyl-noscapine improve tubulin binding and enhances antitumor activity in breast cancer cells. - Shruti Gamya Dash; Srinivas Kantevari; Santosh Kumar Guru; Pradeep Kumar Naik (Comput. Biol. Medicine, 2021)

In vitro characterization and molecular dynamic simulation of shikonin as a tubulin-targeted anticancer agent. - Gudapureddy Radha; Pradeep Kumar Naik; Manu Lopus (Comput. Biol. Medicine, 2022)

N-imidazopyridine derivatives of noscapine as potent tubulin-binding anticancer agents: chemical synthesis and cellular evaluation. - Pooja Dash; Pratyush Pragyandipta; Srinivas Kantevari; Pradeep Kumar Naik (J. Comput. Aided Mol. Des., 2025)