S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#Bhandu, Priyanka#Verma, Himanshu#Raju, Baddipadige#Narendra, Gera#Choudhary, Shalki#Singh, Manmeet#Singh, Pankaj Kumar#Silakari, Om	Identification of natural peptides from PlantPepDB database as anti-SARS-CoV-2 agents: A protein-protein docking approach	Phytomedicine Plus	3	100446	2023
2	#Sharma, Himani#Raju, Baddipadige#Narendra, Gera#Kumar, Manoj#Verma, Himanshu#Sharma, Bhavna#Tung, Gurleen Kaur#Kumar Jain, Subheet#Brás, Natércia F.#Silakari, Om	In silico guided designing of optimized benzochalcones derivatives as potent CYP1B1 inhibitors: An integrated in vitro and ONIOM study	Journal of Molecular Graphics and Modelling	119	108390	2023
3	#Singh, Manmeet#Verma, Himanshu#Bhandu, Priyanka#Kumar, Manoj#Narendra, Gera#Choudhary, Shalki#Singh, Pankaj Kumar#Silakari, Om	Network Analysis Guided Designing of Multi-Targeted Anti-Fungal Agents: Synthesis and Biological Evaluation	Journal of Molecular Structure	1272	134128	2023
4	#Sharma, Himani#Raju, Baddipadige#Narendra, Gera#Motiwale, Mohit#Sharma, Bhavna#Verma, Himanshu#Silakari, Om	QM/MM Studies on Enzyme Catalysis and Insight into Designing of New Inhibitors by ONIOM Approach: Recent Update	ChemistrySelect	8	e202203319	2023
5	#Bhandu, Priyanka#Verma, Himanshu#Singh, Manmeet#Kumar, Manoj#Narendra, Gera#Choudhary, Shalki#Singh, Pankaj Kumar#Silakari, Om	Rational designing of quinazolin-4(3H)-one based ALR2 inhibitors: Synthesis and biological evaluation	Journal of Molecular Structure	1270	133825	2022
6	#Kumar, Manoj#Kumar Singh, Pankaj#Choudhary, Shalki#Silakari, Om	Hydantoin based dual inhibitors of ALR2 and PARP-1: Design, synthesis, in-vitro and in-vivo evaluation	Bioorganic Chemistry	129	106108	2022
7	#Sharma, Priyanka#Raju, Baddipadige#Narendra, Gera#Sapra, Bharti#Silakari, Om	Molecular Docking, Dynamics, and WaterSwap Analysis to Identify Anti-aggregating Agents of Insulin and IFN-β	Applied Biochemistry and Biotechnology	194	3261	2022