Scientist, Prof. GNR Centre of Excellence in Structural Biology and Drug Discovery, Department of Biotechnology SRM Institute of Science and Technology
Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)-phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one Sundarasamy Madhan, M. NizamMohideen, Vijayan Viswanathan, Devadasan Velmurugan Acta Crystallographica Section E Crystallographic Communications, 2025 In the crystal structure of the title chalcone derivative, C30H23NO2, the molecule adopts an s-cis conformation with respect to the C=O and C=C bonds. The triphenylamine moiety has a propeller-type shape, with dihedral angles between the mean planes of pairs of phenyl rings of 72.1 (6), 69.7 (1) and 65.6 (6)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C—H...π interactions consolidate the crystal packing. One of the phenyl rings of the triphenylamine moiety is disordered over two sets of sites.
Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino)-imino]ethyl}phenyl propanoate Sundarasamy Madhan, MohamedHanifa NizamMohideen, Vijayan Viswanathan, Mani Karthik Ananth, Srinivasan Narasimhan Acta Crystallographica Section E Crystallographic Communications, 2024 The title compound, C12H15N3O2S, adopts an E configuration with respect to the C=N bond. The propionate group adopts an antiperiplanar (ap) conformation. There are short intramolecular N—H...N and C—H...O contacts, forming S(5) and S(6) ring motifs, respectively. In the crystal, molecules are connected into ribbons extending parallel to [010] by pairs of N—H...S interactions, forming rings with R 2 2(8) graph-set motifs, and by pairs of C—H...S interactions, where rings with the graph-set motif R 2 1(7) are observed. The O atom of the carbonyl group is disordered over two positions, with a refined occupancy ratio of 0.27 (2):0.73 (2). The studied crystal consisted of two domains.
Novel Metal-Organic Framework and Crystal Engineering of Bismorpholinium Mercury(II) Tribromo Chloride (BMMC) for Optoelectronic Applications Thiyagarajan Maadhu, Ro Mu Jauhar, Arumugam Raja, Sivasubramani Vediyappan, Viswanathan V, Vinitha Gandhiraj, Muthu Senthil Pandian Crystal Growth and Design, 2024 Optically transparent novel metal–organic nonlinear optical single crystals of bismorpholinium mercury(II) tribromo chloride (BMMC) were grown adopting a slow evaporation technique (SEST). The formation of a new crystalline structure and the morphology of the title material were revealed through single-crystal X-ray diffraction (SXRD). The space group of the title compound is found to be P 2 1 / c in the monoclinic crystal system. The unit cell has four molecules adduced into it (the unit cell parameters of a, b, and c are 6.8056(6), 14.0027(10), and 17.2152(14), respectively). The grown crystal’s crystalline phase and crystalline quality were analyzed through a powder X-ray diffraction (PXRD) study. The formation of new molecular structures and multifarious functional groups was unveiled through nuclear magnetic resonance (NMR) and Fourier transform infrared spectrum (FTIR) analyses, respectively. The title compound is found to have a lower cutoff wavelength of 328 nm with 75% in the visible region. The crucial thermal parameters such as thermal stability, decomposition, and melting characteristics of the BMMC crystal have been determined using thermogravimetric analysis (TG) and differential thermal analysis (DTA) under a nitrogen atmosphere. The laser damage threshold of the grown crystal was found to be 2.242 GW/cm 2 with the irradiation of nanosecond, 1064 nm Nd:YAG laser. Third-order nonlinearity of the BMMC crystal was evaluated by Z-scan measurements. The optical limiting (OL) property of the crystal grown has an amplitude of 532 mW and a threshold of 28 mW, respectively.
Development and physicochemical evaluation of 2-amino-6-methylpyridinium hemifumarate dihydrate for advanced optical limiting devices G Ahila, MD Bharathi, M Jayachandiran, P Vani, P Vijayakumar, A Raja, ... Journal of Materials Science: Materials in Electronics 37 (12), 932 , 2026 2026
Structure of the NAD + Bound Erythrose‐4‐Phosphate Dehydrogenase (E4PDH) Reveals the Stabilizing Effect of Polyethylene Glycol on the Quaternary Structure V Vijayan, A Kumari, A Singh, A Kumar, P Sharma, S Sharma, TP Singh, ... Proteins: Structure, Function, and Bioinformatics 94 (4), 921-933 , 2026 2026
Identifying potential inhibitors against galectin-3-binding protein (LGALS3BP) for therapeutic targeting of glioma K Chauhan, V Vijayan, P Pant, S Sharma, MI Hassan, NK Ganguly, ... Journal of Biomolecular Structure and Dynamics 44 (4), 1773-1785 , 2026 2026 Citations: 2
Three dimensional framework of a semi-organic 4-aminopyridinium hexafluorosilicate monohydrate single crystals with quantum chemical insights for nonlinear optical applications RP Kumar, ROMU Jauhar, V Viswanathan, S Priyadharshini, K Anitha, ... Journal of Molecular Structure, 145554 , 2026 2026 Citations: 1
Growth, structural, optical, and thermal characterization of a novel monoclinic third-order nonlinear optical single crystal: 1, 4-diazo bicyclo [2.2. 2] octyl benzoate (DBOB) D Dulasimathi, M Prabhaharan, N Venkatachalam, V Viswanathan, ... Journal of Molecular Structure 1346, 143200 , 2025 2025 Citations: 9
Realizing the triangular pyramid molecular geometry and tetrahedral coordination of a solution grown lithium 4-methyl-3-nitrobenzoate dihydrate crystals for optical limiting … MD Bharathi, M Jayachandiran, V Viswanathan, P Era, FM Anjalin, ... Journal of Molecular Structure 1326, 141050 , 2025 2025 Citations: 5
Bismorpholin-4-ium tetrabromo-cadmium metal-organic single crystal delivering Crystal structure, physicochemical properties and Characterizations for Optoelectronic Applications T Maadhu, ROMU Jauhar, K Kumar, V Johnson, A Raja, V Sivasubramani, ... Journal of Molecular Structure 1322, 140483 , 2025 2025 Citations: 5
Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino) phenyl]-1-[4-(prop-1-yn-2-yloxy) phenyl] prop-2-en-1-one S Madhan, M NizamMohideen, V Viswanathan, D Velmurugan Structure Reports 81 (1) , 2025 2025
Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino) imino] ethyl} phenyl propanoate S Madhan, M NizamMohideen, V Viswanathan, M Karthik Ananth, ... Structure Reports 80 (5), 489-494 , 2024 2024
Computational investigation of molecular structure, spectral analysis, PES study and molecular docking studies of 4-(butan-2-ylideneamino) benzenesulfonamide N Elangovan, S Sowrirajan, N Arumugam, AI Almansour, M Altaf, ... Journal of Molecular Structure 1298, 137054 , 2024 2024 Citations: 8
Novel metal–organic framework and crystal engineering of bismorpholinium mercury (II) tribromo chloride (BMMC) for optoelectronic applications T Maadhu, RM Jauhar, A Raja, S Vediyappan, V V, V Gandhiraj, ... Crystal Growth & Design 24 (4), 1632-1647 , 2024 2024 Citations: 16
Synthesis, structural determination, in vitro antioxidant and antibacterial efficacy of dispirooxindolopyrrolidine embedded indole heterocycle N Arumugam, AI Almansour, MF Alkaltham, SM Soliman, V Viswanathan, ... Journal of Molecular Structure 1295, 136680 , 2024 2024 Citations: 2
Environmentally-friendly synthesis, structural determination and antimicrobial activity of new class of spiropyrrolidine embedded with indenoquinoxaline and chromanone … N Arumugam, SM Soliman, V Viswanathan, AI Almansour, RS Kumar, ... Journal of Molecular Structure 1293, 136189 , 2023 2023 Citations: 11
Analyzing the three-dimensional networks of piperazinium hydrogenisophthalate–Insight on the experimental, theoretical, birefringent behavior and nonlinear optical study ROMU Jauhar, V Mohankumar, V Viswanathan, T Kamalesh, ... Journal of Molecular Structure 1290, 135845 , 2023 2023 Citations: 26
Structural evidence of the conversion of nitric oxide (NO) to nitrite ion (NO2−) by lactoperoxidase (LPO): Structure of the complex of LPO with NO2− at 1.89 Å resolution V Viswanathan, MI Ahmad, PK Singh, N Ahmad, P Sharma, S Sharma, ... Journal of Inorganic Biochemistry 247, 112311 , 2023 2023 Citations: 2
Design, synthesis, structural characterization and computational studies of new class of dispirooxindolopyrrolidine embedded chromanone hybrid heterocycles N Arumugam, MF Alkaltham, V Viswanathan, AI Almansour, RS Kumar, ... Journal of Molecular Structure 1286, 135539 , 2023 2023 Citations: 1
Structure of the Complex of Lactoperoxidase with Nitric Oxide Catalytic Product Nitrite at 1.89 Å Resolution V Viswanathan, J Jeyakanthan, P Sharma, S Sharma, TP Singh Acta Cryst 79, C1066 , 2023 2023
Structure of the complex of camel peptidoglycan recognition protein-S with hexanoic acid reveals novel features of the versatile ligand-binding site at the dimeric interface A Maurya, P Sharma, PK Singh, V Viswanathan, P Kaur, S Sharma, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1871 (3), 140887 , 2023 2023 Citations: 5
Imperatorin from the aerial parts of Cleome viscosa L.: a characterization study and evaluation of the antibacterial activity MAANTGA Govindan Lakshmanan, Ammar B. Altemimic, Sivaraj, Jeyaperumal ... Natural Product Research, 1-8 , 2023 2023 Citations: 7
Structure prediction and discovery of inhibitors against phosphopantothenoyl cysteine synthetase of Acinetobacter baumannii A Gupta, V Vijayan, P Pant, P Kaur, TP Singh, P Sharma, S Sharma Journal of Biomolecular Structure and Dynamics 40 (21), 11405-11417 , 2022 2022 Citations: 8
MOST CITED SCHOLAR PUBLICATIONS
Targeting of DNA molecules, BSA/c-Met tyrosine kinase receptors and anti-proliferative activity of bis (terpyridine) copper (II) complexes D Mahendiran, RS Kumar, V Viswanathan, D Velmurugan, AK Rahiman Dalton Transactions 45 (18), 7794-7814 , 2016 2016 Citations: 99
A new organic NLO material isonicotinamidium picrate (ISPA): crystal structure, structural modeling and its physico-chemical properties ROMU Jauhar, V Viswanathan, P Vivek, G Vinitha, D Velmurugan, ... RSC advances 6 (63), 57977-57985 , 2016 2016 Citations: 64
Novel benzylidene thiazolidinedione derivatives as partial PPARγ agonists and their antidiabetic effects on type 2 diabetes S Yasmin, F Capone, A Laghezza, FD Piaz, F Loiodice, V Vijayan, ... Scientific Reports 7 (1), 14453 , 2017 2017 Citations: 60
Synthesis and molecular modelling studies of novel sulphonamide derivatives as dengue virus 2 protease inhibitors AK Timiri, S Selvarasu, M Kesherwani, V Vijayan, BN Sinha, ... Bioorganic chemistry 62, 74-82 , 2015 2015 Citations: 54
Structure-based virtual screening and biochemical validation to discover a potential inhibitor of the SARS-CoV-2 main protease A Gupta, C Rani, P Pant, V Vijayan, N Vikram, P Kaur, TP Singh, ... ACS omega 5 (51), 33151-33161 , 2020 2020 Citations: 42
Identification of potential drug candidates to combat COVID-19: a structural study using the main protease (mpro) of SARS-CoV-2 P Sharma, V Vijayan, P Pant, M Sharma, N Vikram, P Kaur, TP Singh, ... Journal of Biomolecular Structure and Dynamics 39 (17), 6649-6659 , 2021 2021 Citations: 38
Synthesis, crystal growth, structure, crystalline perfection, thermal, linear, and nonlinear optical investigations on 2-amino-5-nitropyridine 4-chlorobenzoic acid (1: 1): a … S Vediyappan, A Raja, RM Jauhar, R Kasthuri, V Vijayan, MS Pandian, ... Journal of Materials Science: Materials in Electronics 32 (11), 15026-15045 , 2021 2021 Citations: 38
Crystal structure, molecular packing, FMO, NBO, nonlinear optical and optical limiting properties of an organic imidazolium diphenylacetate diphenylacetic acid single crystal ROMU Jauhar, P Era, V Viswanathan, P Vivek, G Vinitha, ... New Journal of Chemistry 42 (4), 2439-2449 , 2018 2018 Citations: 35
Bis (thiosemicarbazone) copper (I) complexes as prospective therapeutic agents: interaction with DNA/BSA molecules, and in vitro and in vivo anti‐proliferative activities D Mahendiran, N Pravin, NSP Bhuvanesh, RS Kumar, V Viswanathan, ... ChemistrySelect 3 (25), 7100-7111 , 2018 2018 Citations: 28
Analyzing the three-dimensional networks of piperazinium hydrogenisophthalate–Insight on the experimental, theoretical, birefringent behavior and nonlinear optical study ROMU Jauhar, V Mohankumar, V Viswanathan, T Kamalesh, ... Journal of Molecular Structure 1290, 135845 , 2023 2023 Citations: 26
Identification of promising drug candidates against NSP16 of SARS-CoV-2 through computational drug repurposing study V Vijayan, P Pant, N Vikram, P Kaur, TP Singh, S Sharma, P Sharma Journal of Biomolecular Structure and Dynamics 39 (17), 6713-6727 , 2021 2021 Citations: 26
In vitro and in vivo anti-proliferative evaluation of bis (4′-(4-tolyl)-2, 2′: 6′, 2 ″-terpyridine) copper (II) complex against Ehrlich ascites carcinoma tumors D Mahendiran, RS Kumar, V Viswanathan, D Velmurugan, AK Rahiman JBIC Journal of Biological Inorganic Chemistry 22 (7), 1109-1122 , 2017 2017 Citations: 25
Crystal structure, DFT and third order non-linear optical studies of an organic bisguanidinium isophthalate monohydrate single crystal P Era, ROMU Jauhar, V Viswanathan, G Vinitha, P Murugakoothan Journal of Molecular Structure 1204, 127476 , 2020 2020 Citations: 22
Heteroscorpionate‐based heteroleptic copper(II) complexes: Antioxidant, molecular docking and in vitro cytotoxicity studies S Jayakumar, D Mahendiran, V Viswanathan, D Velmurugan, ... Applied Organometallic Chemistry 31 (11), e3809 , 2017 2017 Citations: 20
Growth, structural, spectral, Hirshfeld analysis, photoluminescence, linear and third order NLO properties of a novel organic p-toluidinium succinate succinic acid single crystal I Sivagami, ROMU Jauhar, P Era, V Viswanathan, G Vinitha, S Ranjani, ... Journal of Crystal Growth 580, 126471 , 2022 2022 Citations: 17
Novel metal–organic framework and crystal engineering of bismorpholinium mercury (II) tribromo chloride (BMMC) for optoelectronic applications T Maadhu, RM Jauhar, A Raja, S Vediyappan, V V, V Gandhiraj, ... Crystal Growth & Design 24 (4), 1632-1647 , 2024 2024 Citations: 16
Phytochemical constituents from dietary plant Citrus hystrix M Sadasivam, C Kumarasamy, A Thangaraj, M Govindan, G Kasirajan, ... Natural product research 32 (14), 1721-1726 , 2018 2018 Citations: 16
Synthesis, crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of 2-((2-hydroxynaphthalen-1-yl) methylene) hydrazinecarbothioamide P Sivajeyanthi, M Jeevaraj, K Balasubramani, V Viswanathan, ... Chemical Data Collections 11, 220-231 , 2017 2017 Citations: 16
Theoretical, photophysical and biological investigations of an organic charge transfer compound 2-aminobenzimidazolium-2-oxyisoindolate-1, 3-dione-2-hydroxyisoindoline-1, 3-dione D Mahendiran, G Vinitha, S Shobana, V Viswanathan, D Velmurugan, ... RSC advances 6 (65), 60336-60348 , 2016 2016 Citations: 14
Phytochemical analysis, molecular docking and molecular dynamics simulations of selected phytoconstituents from four herbs as anti-dotes for snake bites S Subasri, V Viswanathan, M Kesharwani, D Velmurugan Clinical Proteomics & Bioinformatics 2 (1), 10.15761 , 2016 2016 Citations: 12