Journal Publications

Year  2024

1. Dipti Kumari, Alok Jain* and Kunal Mukhopadhyay*, Comprehensive identification, characterization and expression analysis of genes underpinning heat acclimatization in Triticum durum and Aegilops tauschii, Plant Cell Environ. (2024), In Press. Link 

2. Palak Singla and Alok Jain*, Deciphering the complex landscape of post-translational modifications on PKM2: Implications in head and neck cancer pathogenesis, Life Sci. (2024), 349, 122719. Link 

3. Ankita Jaiswal, Monisha Patel, Anam Naseer, Simran Kumari, Neeraja Revi, Aravind Rengan, Alok Jain*, Aamir Nazir*, Nidhi Gour* and Sandeep Verma*, Amyloid Mimicking Assemblies Formed by Glutamine, Glutamic acid and Aspartic Acid, ACS Chem. Neurosci. (2024), 15, 2253–2264. Link

4. Poonam Bhadoria, Aastha Tiwari, Alok Jain* and Venkatnarayan Ramanathan*, Comprehensive Computational Insights on the Conformations, Electronic Properties and Binding Mechanism of Mescaline: A Hallucinogenic molecule, J. Mol. Liq. (2024), 400, 124562. Link

5. Bhagyashri Rathod , Swarali Joshi ,Siddulu Regu , K.V.N.S. Manikanta, Hansal Kumar, Samdisha Dubey, Arnab Chowdhury, Raisa Parveen Shaikh , Anwesha Das , Sagarkumar Patel , Rutuja Satvase , Deep Rohan Chatterjee , Alok Jain, Rachana Garg and Amit Shard, Design and synthesis of novel quinazolinone-based pyruvate kinase M2 activators as selective inhibitors of oral cancer cells, J. Mol. Str. (2024),137595. Link

Year  2023

1. Apurva Panjla, Grace Kaul, Abdul Akhir, Deepanshi Saxena, Saurabh Joshi, Chandrima Modak, Dipti Kumari, Alok Jain*, Sidharth Chopra*, and Sandeep Verma*, Targeting multidrug resistant Staphylococcus aureus with cationic chlorpromazine-peptide conjugates, Chem. Asian J. (2023),18, e202300169. Link

2. Richa Kiran, Namrata Kushwaha, Eshika Jaiswal, Ajay Kumar, Jaspreet Kaur, Shalini Sharma, Alok Jain, Jayant Sindhu, Surinder K. Mehta, Vikram Saini and Ramesh Kataria, Mixed ligand approach for novel hydrazide copper (II) complexes: Structural aspects, theoretical investigation and their biological evaluation, Appl. Organomet. Chem. (2023), e7118. Link

3. Dinesh Parshuram Satpute, Urjita Shirwadkar, Anil Kumar Tharalla, Sangita Dattatray Shinde, Gargi Nikhil Vaidya, Swarali Joshi, Priyanka Patel Vatsa, Alok Jain, Abhishek Singh, Rachana Garg, Amit Mandoli and Dinesh Kumar, Discovery of Fluorinated 2-Styryl 4 (3H)-quinazolinone as Potential Therapeutic Hit for Oral Cancer, Bioorg. Med. Chem. (2023), 81, 117193. Link

Year  2022

1. Eshika Jaiswal, Christoph Globisch*, and Alok Jain*, Knowledge-driven design and optimization of potent symmetric anticancer molecules: A case study on PKM2 activators, Comput. Biol. Med. (2022), 151, 106313. Link

2. Sravanthi Nakkala, Chandrima Modak, Revanth Bathula, Goverdhan Lanka, Gururaj Somadi, Sivan Sreekanth, Alok Jain, and Sarita Rajender Potlapally, Identification of new anti-cancer agents against CENTERIN: Structure-based virtual screening, AutoDock and binding free energy studies, J. Mol. Struct. (2022), 1270, 133952. Link

3. Debanjan Chatterjee, Nazmina Vhora, Ashutosh Goswami, Aishwarya Hiray, Alok Jain*, and Abhijeet S. Kate*, In-silico and In-vitro Hybrid Approach to Identify Glucagon-Like Peptide-1 Receptor Agonists From Anti-Diabetic Nat. Prod. Res. (2022), 37, 1651-1655. Link

4. Darshan Contractor, Christoph Globisch, Shiv Swaroop* and Alok Jain*, Structural basis of Omicron immune evasion: A comparative computational study, Comput. Biol. Med. (2022), 147, 105758. Link

5. Revanth Bathula, Sree Kanth Sivan, Madhulika Chakravarty, Gururaj Somadi, Narasimha Muddagoni, Goverdhan Lanka, Alok Jain and Sarita Rajender Potlapally, Structural insight into PRMT5 inhibitors through amalgamating Pharmacophore-based virtual screening, ADME-toxicity and binding energy studies and identify new inhibitors by molecular docking, Struct. Chem. (2022), 33, 1223. Link

6. Sagarkumar Patel, Christoph Globisch, Priyanka Pulugu, Prasoon Kumar, Alok Jain* and Amit Shard*, Novel  imidazopyrimidines-based  molecules  induce tetramerization  of  tumor  pyruvate  kinase  M2  and exhibit potent antiproliferative profile, Eur. J. Pharm. Sci., (2022), 170, 106112. Link

Year 2021

1. Joshna Gadhavi, Sumedha Shah, Tulika Sinha, Alok Jain* and Sharad Gupta*, Charge neutralization of lysine via carbamylation reveals hidden aggregation hot-spots in tau protein flanking regions, FEBS J. (2021), 289, 2562. Link

2. Rajkumar Patle, Shital Shinde, Sagarkumar Patel, Rahul Maheshwari, Heena Jariyal, Akshay Srivastava, Neelam Chauhan, Christoph Globisch, Alok Jain, Rakesh Tekade, Amit Shard, Discovery of boronic acid-based potent activators of tumor pyruvate kinase M2 and development of gastroretentive nanoformulation for oral dosing, Bioorg. Med. Chem. Lett. (2021), 42 128062. Link

3. Tanay Dalvi, Bhaskar Dewangan, Gopal Agarwal, Suchita Dattatray Shinde, Alok Jain, Akshay Srivastava and Bichismita Sahu Design, Synthesis and in-vitro evaluation of fluorinated triazoles as multi-target directed ligands for Alzheimer disease, Bioorg. Med. Chem. Lett. (2021), 6, 127999. Link

4. Santosh Behera, Nazmina Vhora, Darshan Contractor, Amit Shard*, Dinesh Kumar*, Kiran Kalia*, Alok Jain*, Computational Drug Repurposing Study Elucidating Simulations Inhibition of Entry and Replication of Novel Corona Virus by Grazoprevir. Nature Sci. Rep. (2021), 11, 7307. Link

5. Gourav Rakshit, Pankaj Dagur, Swaha Satpathy, Arjun Patra*, Alok Jain*, and Manik Ghosh*, Flavonoids as potential therapeutics against novel coronavirus disease-2019 (nCOVID-19). J. Biomol. Struct. Dyn. (2021) , 1-13. Link

6. Debargya Mitra, Janmejay Pandey, Alok Jain*, and Shiv Swaroop*, In silico design of Multi-epitope-based peptide vaccine against SARS-CoV-2 using its spike protein, J. Biomol. Struct. Dyn. (2021), 6, 1-14. Link

Year 2020

1. Nazmina Vhora, Ujjal Naskar, Aishwarya Hiray, Abhijeet S Kate* and Alok Jain*, Recent Advances in in-vitro Assay for Type – 2 Diabetes Mellitus: An Overview, Rev. Diabet. Stud. (2020), 16, 13-23. Link

2. Manan Bhargavi, Nazmina Vhora, Goverdhan Lanka, Gururaj Somadi, Sivan Sree Kanth, Alok Jain, Sarita Rajender Potlapally, Homology Modeling and Virtual Screening to Explore Potent Inhibitors for MAP2K3 protein, J. Struct. Chem. (2020), 32, 1039-1051. Link

3. Tanay Dalvi, Bhaskar Dewangan, Rudradip Das, Jyoti Rani, Suchita Dattatray Shinde, Nazmina Vhora, Alok Jain and Bichismita Sahu*, Old Drugs with New Tricks; Paradigm in Drug Development Pipeline for Alzheimer’s Disease, BMS-CNSAMC (2020), 20, 157-176. Link

4. Rudradip Das, Bhavinkumar Gayakvad, Suchita Dattatray Shinde, Jyoti Rani, Alok Jain*, Bichismita Sahu*, Ultrashort peptides - A glimpse into the structural modifications and their applications as biomaterial, ACS Appl. Bio Mater. (2020), 3, 5474-5499. Link

5. Gargi Nikhil Vaidya, Pooja Rana, Ashwini V., Deep Rohan Chatterjee, Darshan Contractor, Dinesh Parshuram Satpute, Mithilesh Nagpure, Alok Jain*, Dinesh Kumar*, Paradigm Shift of “Classical” HDAC Inhibitors to “Hybrid” HDAC inhibitors in Therapeutic Interventions, Eur. J. Med. Chem. (2020), 209, 112844. Link

6. Bhagyashri Kulkarni, Piyush Gondaliya, Pratibha Kirave, Rakesh Rawal, Alok Jain, Rachana Garg, and Kiran Kalia, Exosome-mediated delivery of miR-30a sensitize oral cancer cells to cisplatin via modulating Beclin1 and Bcl2, Oncotarget (2020), 11, 1832. Link

7. Pratibha Kirave, Piyush Gondaliya, Bhagyashri Kulkarni, Rakesh Rawal, Rachana Garg*, Alok Jain*, and Kiran Kalia*, Exosome mediated miR-155 shuttling potentiates chemoresistance in oral cancer cells via epithelial-mesenchymal transition, Oncotarget  (2020), 11, 1157. Link

Full Publications list

https://scholar.google.co.in/citations?user=nuWDlLYAAAAJ&hl=en