S.No.	Authors	Title	Journal	Volume	Pages	Year
1	#Jayaraman, Manikandan#Gosu, Vijayakumar#Kumar, Rajalakshmi#Jeyaraman, Jeyakanthan#Lee, Hak-kyo#Shin, Donghyun	Exploring Marine natural products as potential Quorum sensing inhibitors by targeting the PqsR in Pseudomonas aeruginosa: Virtual screening assisted structural dynamics study	PLOS ONE	20	e0319352	2025
2	#Subramaniyan, Sneha#Jayaraman, Manikandan#Jeyaraman, Jeyakanthan	Exploring phytochemicals and marine natural products as alternative therapeutic agents targeting phosphotransacetylase (PTA) in Mycobacterium tuberculosis: An underexplored drug target	Journal of Molecular Graphics and Modelling	138	109025	2025
3	#Gnanavelou, Revathi#Jayaraman, Manikandan#Jeyaraman, Jeyakanthan#Girija, Konda Reddy	Computational design and structural insights into quinazoline-based lead molecules for targeting PARP10 in cancer therapy	Journal of Molecular Graphics and Modelling	137	109005	2025
4	#Heyram, K.#Manikandan, J.#Prabhu, D.#Jeyakanthan, J.	Computational insights into marine natural products as potential antidiabetic agents targeting the SIK2 protein kinase domain	SAR and QSAR in Environmental Research	35	1129	2024
5	#Hemavathy, Nagarajan#Ranganathan, Sampathkumar#Umashankar, Vetrivel#Jeyakanthan, Jeyaraman	Computational Development of Allosteric Peptide Inhibitors Targeting LIM Kinases as a Novel Therapeutic Intervention	Cell Biochemistry and Biophysics			2025
6	#Rajmichael, Raji#Hemavathy, Nagarajan#Mathimaran, Ahila#Pandian, Chitra Jeyaraj#Kingsley, Jemima D.#Subramanian, Gomathinayagam#Jeyakanthan, Jeyaraman	Whole genome sequencing characterization and comparative genome analysis of Acinetobacter baumannii JJAB01: A comprehensive insights on antimicrobial resistance and virulence genotype	Microbial Pathogenesis	199	107224	2025
7	#Hemavathy, Nagarajan#Umashankar, Vetrivel#Jeyakanthan, Jeyaraman	Unveiling novel type 1 inhibitors for targeting LIM kinase 2 (LIMK2) for cancer therapeutics: An integrative pharmacoinformatics approach	Computational Biology and Chemistry	115	108289	2025
8	#Roy, Joydeep#Hemavathy, Nagarajan#Saravanan, Roshni#Gopinath, Prarthana#Pugazh, Pooja#Jeyaraman, Jeyakanthan#Venkatraman, Ganesh#Rayala, Suresh Kumar	Spatio‐temporal localization of P21‐activated kinase in endometrial cancer	Biotechnology and Applied Biochemistry		bab.2684	2024
9	#Prabhu, Dhamodharan#Shankari, Gopalakrishnan#Rajamanikandan, Sundararaj#Jeyakanthan, Jeyaraman#Velusamy, Palaniyandi#Gopinath, Subash C.B.#Pattabi, Sasikumar	Designing potential lead compounds targeting aminoglycoside N (6′)-acetyltransferase in Serratia marcescens: A drug discovery strategy	International Journal of Biological Macromolecules	281	136976	2024
10	#Alagesan, Karthika#Nagarajan, Hemavathy#Jeyakanthan, Jeyaraman	Repurposing FDA-approved drugs for combating tigecycline resistance in Acinetobacter baumannii: in silico screening against BaeR protein	Molecular Diversity	29	2243	2025
11	#Panchalingam, Santhiya#Jayaraman, Manikandan#Jeyaraman, Jeyakanthan#Kasivelu, Govindaraju	Harnessing marine natural products to inhibit PAD4 triple mutant: A structure-based virtual screening approach for rheumatoid arthritis therapy	Archives of Biochemistry and Biophysics	761	110164	2024
12	#Sanjeevi, Madhumathi#Mohan, Ajitha#Ramachandran, Dhanalakshmi#Jeyaraman, Jeyakanthan#Sekar, Kanagaraj	CSSP-2.0: A refined consensus method for accurate protein secondary structure prediction	Computational Biology and Chemistry	112	108158	2024
13	#Mathimaran, Amala#Nagarajan, Hemavathy#Mathimaran, Ahila#Huang, Yen-Chieh#Chen, Chun-Jung#Vetrivel, Umashankar#Jeyaraman, Jeyakanthan	Deciphering the pH-dependent oligomerization of aspartate semialdehyde dehydrogenase from Wolbachia endosymbiont of Brugia malayi: An in vitro and in silico approaches	International Journal of Biological Macromolecules	276	133977	2024
14	#Mathimaran, Ahila#Pandian, Chitra Jeyaraj#Sappanimuthu, Priyanka#Kirshnakumar, Heyram#Amala, Mathimaran#Veerapandiyan, Malaisamy#Kingsly, Jemima#Solomon, Anitta#Sonamuthu, Jegatheeswaran#Jeyaraman, Jeyakanthan	Synthesis of multifunctional silver oxide, zinc oxide, copper oxide and gold nanoparticles for enhanced antibacterial activity against ESKAPE pathogens and antioxidant, anticancer activities using Momordica cymbalaria seed extract	Materials Today Communications	39	108838	2024
15	#Jayaraman, Manikandan#Kumar, Rajalakshmi#Panchalingam, Santhiya#Jeyaraman, Jeyakanthan	Mechanistic insights into the conformational changes and alterations in residual communications due to the mutations in the pncA Gene of Mycobacterium tuberculosis: A computational perspective for effective therapeutic solutions	Computational Biology and Chemistry	110	108065	2024
16	#Amala, Mathimaran#Nagarajan, Hemavathy#Ahila, Mathimaran#Nachiappan, Mutharasappan#Veerapandiyan, Malaisamy#Vetrivel, Umashankar#Jeyakanthan, Jeyaraman	Unveiling the intricacies of allosteric regulation in aspartate kinase from the Wolbachia endosymbiont of Brugia Malayi: Mechanistic and therapeutic insights	International Journal of Biological Macromolecules	267	131326	2024
17	#Malaisamy, Veerapandiyan#Alagesan, Karthika#Nagarajan, Hemavathy#Jayaraman, Manikandan#Vetrivel, Umashankar#Jeyaraman, Jeyakanthan	Biochemical and biophysical characterization of biosynthetic arginine decarboxylase from Thermus thermophilus	Journal of Biomolecular Structure and Dynamics		1	2024
18	#Nathar, Shaslinah#Rajmichael, Raji#Jeyaraj Pandian, Chitra#Nagarajan, Hemavathy#Mathimaran, Ahila#Kingsley, Jemima D.#Jeyaraman, Jeyakanthan	Exploring Nocardia’s ecological spectrum and novel therapeutic frontiers through whole-genome sequencing: unraveling drug resistance and virulence factors	Archives of Microbiology	206	76	2024
19	#Aiswarya, N.#Rahul, C.N.#Kothandan, Gugan#Kurup, M.R.Prathapachandra#Manoj, E.#Chandrasekaran, P.#Jeyaraman, Jeyakanthan#Sekar, Kanagaraj	Crystal structure of 1-(E)- [(5‑bromo-2-hydroxybenzylidene amino) pyrrolidin-2-one]: Design, synthesis and computational evaluation of a novel racetam congener for epilepsy	Journal of Molecular Structure	1300	137219	2024
20	#Jeyaraman, Sabareeswari#Sankar, Jeyanthi#Wong, Ling Shing#Muthusamy, Karthikeyan	E-pharmacophore based virtual screening of potent lead molecules against Cystic Fibrosis: An in silico study	Computational Biology and Chemistry	113	108249	2024
21	#Muralidharan Jothimani#Sivakumar Vijayaraghavalu#Karthik Sadasivam#Karthikeyan Muthusamy	Identification of Potent SFRP1 Inhibitors for Colorectal Cancer using a Comprehensive Computational Approach		20	1	2024
22	#Jeyanthi Sankar#Kannan Rajendran#Ling Shing Wong#Karthikeyan Muthusamy	Cross-Section of Hypertensive Molecular Signaling Pathways: Understanding Pathogenesis and Identifying Improved Drug Targets		21	31	2025
23	#Loganathan, Lakshmanan#Carlus, S. Justin#Muthusamy, Karthikeyan	Renin and CYP P450 gene variations significantly associated with essential hypertension: A prospective pharmacogenomics study	Gene Reports	37	102023	2024
24	#Jayaraj, John Marshal#Muthusamy, Karthikeyan##	VDR, CYP24A1 and KL Gene Variations Significantly Associated with CKD Pathogenesis: A Comparative Genetic Study	INTERNATIONAL JOURNAL OF HUMAN GENETICS	24	158	2024
25	#Sankar, Jeyanthi#Briget Kuriakose, Beena#Hamad Alhazmi, Amani#Shing Wong, Ling#Muthusamy, Karthikeyan	Computational and molecular insights on non-synonymous SNPs associated with human RAAS genes: Consequences for Hypertension vulnerability	Journal of Genetic Engineering and Biotechnology	23	100476	2025
26	#Sundaravel, Sakthi Sasikala#Kuriakose, Beena Briget#Alhazmi, Amani Hamad#Jeyaraman, Sabareeswari#Jagannathan, Sushma Shruthi#Muthusamy, Karthikeyan	Molecular insights of vitamin D receptor SNPs and vitamin D analogs: a	Molecular diversity			2025
27	#Verma, Shailya#Sowdhamini, Ramanathan	A genome-wide search of Toll/Interleukin-1 receptor (TIR) domain-containing adapter molecule (TICAM) and their evolutionary divergence from other TIR domain containing proteins	Biology Direct	17	24	2022
28	#Naika, Mahantesha B. N.#Sathyanarayanan, Nitish#Sajeevan, Radha Sivarajan#Bhattacharyya, Teerna#Ghosh, Pritha#Iyer, Meenakshi S.#Jarjapu, Mahita#Joshi, Adwait G.#Harini, K.#Shafi, K. Mohamed#Kalmankar, Neha#Karpe, Snehal D.#Mam, Bhavika#Pasha, Shaik Naseer#Sowdhamini, Ramanathan	Exploring the medicinally important secondary metabolites landscape through the lens of transcriptome data in fenugreek (Trigonella foenum graecum L.)	Scientific Reports	12	13534	2022
29	#Shafi, K. Mohamed#Sowdhamini, Ramanathan	Computational analysis of potential candidate genes involved in the cold stress response of ten Rosaceae members	BMC Genomics	23	516	2022
30	#Bhattacharyya, Teerna#Nayak, Soumya#Goswami, Smit#Gadiyaram, Vasundhara#Mathew, Oommen K#Sowdhamini, Ramanathan	PASS2.7: a database containing structure-based sequence alignments and associated features of protein domain superfamilies from SCOPe	Database	2022	baac025	2022
31	#Kalmankar, Neha V#Pavalam, Murugavel#Indrakumar, Sowmya#Srinivasan, Narayanaswamy#Sowdhamini, Ramanathan	DSDBASE 2.0: updated version of DiSulphide dataBASE, a database on disulphide bonds in proteins	Database	2022	baac005	2022
32	#Chauhan, Pankaj Kumar#Sowdhamini, Ramanathan	LIM domain-wide comprehensive virtual mutagenesis provides structural rationale for cardiomyopathy mutations in CSRP3	Scientific Reports	12	3562	2022