26. Structure of entinostat Form B, C21H20N4O3, derived using laboratory powder diffraction data and density functional techniques 

James A. Kaduk,* Sunil K. Rai   

Acta Cryst. E 2025, 81, 865-869

24. Probing Short-Range Interactions in Isostructural Hydrate and Perhydrate of Dabrafenib by Magic-Angle Spinning Solid-State NMR  

Sunil K. Rai, Lokeswara Rao Potnuru, Nghia Tuan Duong, Toshio Yamazaki, Ashwini K. Nangia,* Yusuke Nishiyama,* Vipin Agarwal*    

Anal. Chem. 2024, 96, 12308–12315

23. Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: Improving dissolution and inhibiting cell migration  

Sunil K. Rai,* Anilkumar Gunnam, Debopriya Roy, Raveena Rajput, Kiran Kulkarni, Ashwini K. Nangia*    

CrystEngComm  2023, 25, 5565–5574

22. Dabrafenib–Panobinostat Salt: Improving the Dissolution Rate and Inhibition of BRAF Melanoma Cells  

Sunil K. Rai*, Gaetano Marverti, Anilkumar Gunnam, Suryanarayana Allu, Ashwini K. Nangia*     

ACS Omega 2023, 8, 18255–18265 

21. Polymorph II of hydroxyurea 150 years after its first synthesis            

Sunil K. Rai*, Srinu Tothadi, Mihails Arhangelskis, Christy P. George, Rajesh G. Gonnade, Ashwini K. Nangia*   

CrystEngComm  2023, 25, 2712–2716

20. Polymorphs, Solvatomorphs, Hydrate, and Perhydrate of Dabrafenib           

Sunil K. Rai*, Anilkumar Gunnam, Gregory JO Beran, James A. Kaduk, Ashwini K. Nangia*       

Cryst. Growth Des. 2023, 23, 1179–1188

19. Entacapone Polymorphs: Crystal Structures, Dissolution, Permeability, and Stability          

Manish K. Bommaka, M. K. Chaitanya Mannava, Sunil K. Rai, Kuthuru Suresh, Ashwini K. Nangia*

Cryst. Growth Des. 2021, 21, 5573–5585

Published as part of a Crystal Growth and Design virtual special issue in Celebration of the Career of Roger Davey

17. Salts and Cocrystal of Etodolac: Advantage of Solubility, Dissolution and Permeability       

Sunil K. Rai, Suryanarayana Allu, Ashwini K. Nangia*       

Cryst. Growth Des. 2020, 20, 4512–4522 

Published as part of a Crystal Growth and Design virtual special issue Remembering the Contributions and Life of Prof. Joel Bernstein

16. Structural, Hirshfeld surface and in vitro cytotoxicity evaluation of five new N-aryl-N’-alkoxycarbonyl thiocarbamide derivatives       

Sunil K. Pandey, Seema Pratap,* Sunil K. Rai, Gaetano Marverti      

Phosphorus Sulfur Silicon Relat Elem  2020, 195, 812-820  

15. Synthesis, characterisation, Hirshfeld surface and in vitro cytotoxicity evaluation of new N-aryl-N′-Alkoxycarbonyl thiocarbamide derivatives         

Sunil K. Pandey, Seema Pratap,* Sunil K. Rai, Gaetano Marverti, Manpreet Kaur, Jerry P. Jasinski      

J. Mol. Struct. 2020, 127269   

14. Improving the Dissolution Rate of Anticancer Drug Dabrafenib        

Sunil K. Rai, Anilkumar Gunnam, M. K. Chaitanya Mannava, Ashwini K. Nangia*   

Cryst. Growth Des. 2020, 20, 1035–1046  

13. Synthesis, characterization, Hirshfeld surface, cytotoxicity, DNA damage and cell cycle arrest studies of N, N-diphenyl-N'-(biphenyl-4-carbonyl/4-chlorobenzoyl) thiocarbamides       

Sunil K. Pandey, Seema Pratap,* Sunil K. Rai, Gaetano Marverti, Manpreet Kaur, Jerry P. Jasinskid    

J. Mol. Struct.  2019, 1186, 333 – 344 

12. Study of Conformational and Supramolecular Structural Stability of Propylene‐Bridged 2‐Pyridone Dimers       

Sunil K. Rai, Tomasz Sierański, Shaziya Khanam, Ashish K. Tewari*

ChemistrySelect 2018, 3, 214 – 219 

11. Quantitative Analysis of Intermolecular Interactions in 3‐Cyano‐2‐Pyridones: Evaluation through Single Crystal X‐ray Diffraction and Density Functional Theory      

Sunil K. Rai, Tomasz Sierański, Shaziya Khanam, Krishnan Ravi Kumar, Balasubramanian Sridhar, Ashish K. Tewari*  

ChemistrySelect 2018, 3, 5864 – 5873 

10. An excellent stable fluorescent probe: selective and sensitive detection of trace amounts of Hg+ 2 ions in natural source of water     

Ranjana Singh, Sunil K. Rai, Manish K. Tiwari, Anurag Mishra, Ashish K. Tewari, Phool C. Mishra, Ranjan K. Singh*  

Chem. Phys. Lett. 2017, 676, 39 – 45  

9. Synthesis of N,N-Bis-Sulfonylated and N-Alkyl-N-Sulfonylated G1 Dendrimers via Click Reaction: Application of Thiocarbamide based Cu(I) Catalysts    

Shaziya Khanam, Sunil K. Pandey, Sunil K. Rai, Deepshikha Verma, Jerry P. Jasinski, Seema Pratap, Ashish K. Tewari* 

ChemistrySelect 2017, 2, 6370 – 6374  

8. Advancement in the sulfone-based dendrimers: From synthesis to application   

Shaziya Khanam, Sunil K. Rai, Ashish K. Tewari*  

Adv. Mater. Lett.  2017, 8, 1005-1019  

7. An efficient and controlled synthesis of persulfonylated G1 dendrimers via click reaction  

Shaziya Khanam, Sunil K. Rai, Deepshikha Verma, Ranjana S. Khanna, Ashish K. Tewari*

RSC Adv. 2016, 6, 56952-56962 

6. Experimental and Theoretical Study for the Assessment of the Conformational Stability of Polymethylene-Bridged Heteroaromatic Dimers: A Case of Unprecedented Folding 

Sunil K. Rai, Praveen Singh, Ranjeet Kumar, Ashish K. Tewari,* Jirí̌ Hostas, Ramachandran Gnanasekaran, Pavel Hobza*  

Cryst. Growth Des. 2016, 16, 1176–1180

5. Polymorphic study and anti-inflammatory activity of a 3-cyano-2-pyridone based flexible model

Sunil K Rai, Praveen Singh, Shaziya Khanam, Ashish K Tewari*   

New J. Chem. 2016,40, 5577-5587

4. Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials

Sunil K. Rai, Priyanka Srivastava, Hariom Gupta, Maria del C. Puerta, Pedro Valerga, Ashish K. Tewari*  

Struct Chem 2015, 26, 555–563

3. Design and Synthesis of 2-Pyridone Based Flexible Dimers and Their Conformational Study through X-ray Diffraction and Density Functional Theory: Perspective of Cyclooxygenase-2 Inhibition

 Sunil K. Rai, Shaziya Khanam, Ranjana S. Khanna, Ashish K. Tewari*   

Cryst. Growth Des. 2015, 15, 1430–1439

2. Face-to-face stacking in sulfonamide based bis-ethylene bridged heteroaromatic dimers 

Ranjeet Kumar, Sunil K. Rai, Praveen Singh, Archana Gaurav, Pratima Yadav, Ranjana S. Khanna, Hariom Gupta, Ashish K. Tewari*  

RSC Adv. 2015, 5, 97205-97211 

1. Cascade synthesis of 2-pyridones using acrylamides and ketones

Sunil K. Rai, Shaziya Khanam, Ranjana S. Khanna, Ashish K. Tewari*

RSC Adv. 2014, 4, 44141-44145