S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#Singh, Vishakha#Dhankhar, Poonam#Dalal, Vikram#Tomar, Shailly#Golemi-Kotra, Dasantila#Kumar, Pravindra	Drug-Repurposing Approach To Combat Staphylococcus aureus: Biomolecular and Binding Interaction Study	ACS Omega	7	38448	2022
2	#Bhattacharya, Sourya#Junghare, Vivek#Hazra, Mousumi#Pandey, Niteesh Kumar#Mukherjee, Abirlal#Dhankhar, Kunal#Das, Neeladrisingha#Roy, Partha#Dubey, Ramesh Chandra#Hazra, Saugata	Characterization of a Class A β-Lactamase from Francisella tularensis (Ftu-1) Belonging to a Unique Subclass toward Understanding AMR	ACS Bio Med Chem Au	3	174	2023
3	#Kaur, Harry#Rode, Surabhi#KP, Sandra#Mahto, Jai Krishna#Alam, Md Shahid#Gupta, Deena Nath#Kar, Bibekananda#Singla, Jitin#Kumar, Pravindra#Sharma, Ashwani Kumar	Characterization of haloacid dehalogenase superfamily acid phosphatase from Staphylococcus lugdunensis	Archives of Biochemistry and Biophysics	753	109888	2024
4	#Choudhary, Shweta#Nehul, Sanketkumar#Kumar, Amith#Sharma, Swati#Rani, Ruchi#Saha, Ankita#Sharma, Gaurav Kumar#Tomar, Shailly#Kumar, Pravindra	Crystal structure and activity profiling of deubiquitinating inhibitors-bound to SARS-CoV-2 papain like protease revealed new allosteric sites for antiviral therapies				2022
5	#Dhaka, Preeti#Singh, Ankur#Choudhary, Shweta#Peddinti, Rama Krishna#Kumar, Pravindra#Sharma, Gaurav Kumar#Tomar, Shailly	Mechanistic and thermodynamic characterization of antiviral inhibitors targeting nucleocapsid N-terminal domain of SARS-CoV-2	Archives of Biochemistry and Biophysics	750	109820	2023
6	#Choudhary, Shweta#Nehul, Sanketkumar#Singh, Ankur#Panda, Prasan Kumar#Kumar, Pravindra#Sharma, Gaurav Kumar#Tomar, Shailly	Unraveling antiviral efficacy of multifunctional immunomodulatory triterpenoids against SARS-COV-2 targeting main protease and papain-like protease	IUBMB Life	76	228	2024
7	#Bhatia, Pooja#Singh, Vedita Anand#Rani, Ruchi#Nath, Mala#Tomar, Shailly	Cellular uptake of metal oxide-based nanocomposites and targeting of chikungunya virus replication protein nsP3	Journal of Trace Elements in Medicine and Biology	78	127176	2023
8	#Singh, Kavya#Maurya, Harshit#Singh, Parthasarathi#Panda, Pujarani#Behera, Amit Kumar#Jamal, Arshad#Eslavath, Ganesh#Mohapatra, Somesh#Chauhan, Harsh#Sharma, Deepak	DISPEL: database for ascertaining the best medicinal plants to cure human diseases	Database	2023	baad073	2023
9	#Singh, Vishakha#Dhankhar, Poonam#Dalal, Vikram#Tomar, Shailly#Kumar, Pravindra	In-silico functional and structural annotation of hypothetical protein from Klebsiella pneumonia: A potential drug target	Journal of Molecular Graphics and Modelling	116	108262	2022
10	#Lonare, Sapna#Rode, Surabhi#Verma, Preeti#Verma, Shalja#Kaur, Harry#Alam, Md Shahid#Wangmo, Padma#Kumar, Pravindra#Roy, Partha#Sharma, Ashwani Kumar	Characterization of AICAR transformylase/IMP cyclohydrolase (ATIC) bifunctional enzyme from Candidatus Liberibacer asiaticus	Biochimica et biophysica acta. Proteins and proteomics	1872	141015	2024
11	#Mahajan, Supreeti#Kumar, Ravi#Singh, Ankur#Dhaka, Preeti#Pareek, Akshay#Kumar, Pravindra#Tomar, Shailly	Targeting the host protein G3BP1 for the discovery of novel antiviral inhibitors against Chikungunya virus	Virology	608	110551	2025
12	#Dhaka, Preeti#Mahto, Jai Krishna#Singh, Ankur#Kumar, Pravindra#Tomar, Shailly	Structural insights into the RNA binding inhibitors of the C-terminal domain of the SARS-CoV-2 nucleocapsid	Journal of Structural Biology	217	108197	2025
13	#Nehul, Sanketkumar#Rani, Ruchi#Walia, Priyanshu#Panda, Prasan Kumar#Singh, Sharad#Chattopadhyay, Soma#Kumar, Pravindra#Tomar, Shailly	Repurposing Efavirenz, the HIV Antiretroviral Drug for Chikungunya Virus Infection	ACS Infect. Dis.	11	963	2025
14	#Singh, Ankur#Jangid, Kuldeep#Nehul, Sanketkumar#Dhaka, Preeti#Rani, Ruchi#Pareek, Akshay#Sharma, Gaurav Kumar#Kumar, Pravindra#Tomar, Shailly	Structural and Mechanistic Insights into the Main Protease (Mpro) Dimer Interface Destabilization Inhibitor: Unveiling New Therapeutic Avenues against SARS-CoV-2	Biochemistry	64	1589	2025
15	#Dhaka, Preeti#Singh, Ankur#Nehul, Sanketkumar#Choudhary, Shweta#Panda, Prasan Kumar#Sharma, Gaurav Kumar#Kumar, Pravindra#Tomar, Shailly	Disruption of Molecular Interactions between the G3BP1 Stress Granule Host Protein and the Nucleocapsid (NTD-N) Protein Impedes SARS-CoV-2 Virus Replication	Biochemistry	64	823	2025
16	#Singh, Vishakha#Bhutkar, Mandar#Choudhary, Shweta#Nehul, Sanketkumar#Kumar, Rajesh#Singla, Jitin#Kumar, Pravindra#Tomar, Shailly	Structure-guided mutations in CDRs for enhancing the affinity of neutralizing SARS-CoV-2 nanobody	Biochemical and Biophysical Research Communications	734	150746	2024
17	#Bhutkar, Mandar#Saha, Ankita#Tomar, Shailly	Viral methyltransferase inhibitors: berbamine, venetoclax, and ponatinib as efficacious antivirals against chikungunya virus	Archives of Biochemistry and Biophysics	759	110111	2024
18	#Bhutkar, Mandar#Kumar, Amith#Rani, Ruchi#Singh, Vishakha#Saha, Ankita#Pathak, Akashjyoti#Kothiala, Aditi#Mahajan, Supreeti#Waghmode, Bhairavnath#Verma, Shalja#Kumar, Ravi#Mudgal, Rajat#Sircar, Debabrata#Kumar, Pravindra#Tomar, Shailly	Structure-based identification of herbacetin and caffeic acid phenethyl ester as inhibitors of S-adenosylmethionine-dependent viral methyltransferase	FEBS Letters	n/a		2025
19	#Nair ,Adwaita S. R.#, Samanta ,Arup# and Hazra ,Saugata	Understanding the basis of thermostability for enzyme “Nanoluc” towards designing industry-competent engineered variants	Journal of Biomolecular Structure and Dynamics		1
20	#Verma, Shalja#Singh, Anika#Kumar, Pravindra#Singla, Jitin	In-silico characterization of a hypothetical protein of Sulfobacillus sp. hq2 for degradation of phthalate diesters	International Journal of Biological Macromolecules	280	136006	2024
21	#Verma, Shalja#Choudhary, Shweta#Amith Kumar, Kamble#Mahto, Jai Krishna#Vamsi K, Anil Kumar#Mishra, Ishani#Prakash, Vellanki Bhanu#Sircar, Debabrata#Tomar, Shailly#Kumar Sharma, Ashwani#Singla, Jitin#Kumar, Pravindra	Mechanistic and structural insights into EstS1 esterase: A potent broad-spectrum phthalate diester degrading enzyme	Structure	33	247	2025
22	#Jangid, Kuldeep#Mahto, Jai Krishna#Kumar, K Amith#Dhaka, Preeti#Sharma, Anchal#Tariq, Amaan#Sharma, Ashwani Kumar#Kumar, Pravindra	Structural and biochemical analyses reveal quinic acid inhibits DAHP synthase a key player in shikimate pathway	Archives of Biochemistry and Biophysics	763	110219	2025