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Requested Article:
Design, synthesis, structural analysis and quantum chemical insight into the molecular structure of coumarin derivatives
Chethan Burudeghatta Sundaramurthy, Chethan Prathap Kesthur Nataraju, N.K. Lokanath
Molecular Systems Design & Engineering (2021) Vol. 7, Iss. 2, pp. 132-157
Closed Access | Times Cited: 33
Chethan Burudeghatta Sundaramurthy, Chethan Prathap Kesthur Nataraju, N.K. Lokanath
Molecular Systems Design & Engineering (2021) Vol. 7, Iss. 2, pp. 132-157
Closed Access | Times Cited: 33
Showing 1-25 of 33 citing articles:
SYNTHESIS, CRYSTAL STRUCTURE, SUPRAMOLECULAR ASSEMBLY EXPLORATION BY HIRSHFELD SURFACE ANALYSIS AND COMPUTATIONAL STUDY OF 6-BROMO-2-OXO- 2H-CHROMENE-3-CARBONITRILE (BOCC)
М. М. Курбанова, Muhammad Ashfaq, Muhammad Nawaz Tahir, et al.
Journal of Structural Chemistry (2023) Vol. 64, Iss. 2, pp. 302-313
Closed Access | Times Cited: 24
М. М. Курбанова, Muhammad Ashfaq, Muhammad Nawaz Tahir, et al.
Journal of Structural Chemistry (2023) Vol. 64, Iss. 2, pp. 302-313
Closed Access | Times Cited: 24
Ordering self-assembly structures via N H⋯S and Br⋯S interactions in (E)-2-(4-bromobenzylidene)hydrazinecarbothioamide : Insights from crystallographic and computational study
Manasa Chandramouli, Vinay Kumar, Shamantha Kumar, et al.
Journal of Molecular Structure (2024) Vol. 1310, pp. 138285-138285
Closed Access | Times Cited: 7
Manasa Chandramouli, Vinay Kumar, Shamantha Kumar, et al.
Journal of Molecular Structure (2024) Vol. 1310, pp. 138285-138285
Closed Access | Times Cited: 7
Investigation of the crystal structure, supramolecular architecture and in-silico myelofibrosis inhibition of a triazole derivative: a structural and theoretical approach
Dheeraj Kumar, B.S. Chethan, Darshini Gowda, et al.
Journal of Molecular Structure (2023) Vol. 1288, pp. 135770-135770
Closed Access | Times Cited: 16
Dheeraj Kumar, B.S. Chethan, Darshini Gowda, et al.
Journal of Molecular Structure (2023) Vol. 1288, pp. 135770-135770
Closed Access | Times Cited: 16
A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis
S. Neetha, T.N. Lohith, Chikkappaiahnayaka Santhosh, et al.
Journal of Molecular Structure (2024) Vol. 1319, pp. 139584-139584
Closed Access | Times Cited: 5
S. Neetha, T.N. Lohith, Chikkappaiahnayaka Santhosh, et al.
Journal of Molecular Structure (2024) Vol. 1319, pp. 139584-139584
Closed Access | Times Cited: 5
The pivotal role of the carbonyl group in methoxy chalcones: comprehensive analyses of the structure and computational insights into binding affinity towards monoamine oxidase enzymes
Keshav Kumar Harish, Hussien Ahmed Khamees, Keerthikumara Venkatesha, et al.
Molecular Systems Design & Engineering (2025)
Closed Access
Keshav Kumar Harish, Hussien Ahmed Khamees, Keerthikumara Venkatesha, et al.
Molecular Systems Design & Engineering (2025)
Closed Access
Exploration of piperazine-citral sulfonyl derivatives: antibacterial and in-silico studies against methicillin-resistant Staphylococcus aureus
K Nirusha, H.S. Nagendra Prasad, T.N. Lohith, et al.
Archives of Microbiology (2025) Vol. 207, Iss. 3
Closed Access
K Nirusha, H.S. Nagendra Prasad, T.N. Lohith, et al.
Archives of Microbiology (2025) Vol. 207, Iss. 3
Closed Access
Design, Crystal Insights, and Non-Linear Optical Properties of a Novel Methoxy-Substituted Thiophene Chalcone: A Theoretical and Experimental Approach
P. Naresh, Mahesha Mahesha, Raj T.N. Vinuth, et al.
Journal of Molecular Structure (2025), pp. 141737-141737
Closed Access
P. Naresh, Mahesha Mahesha, Raj T.N. Vinuth, et al.
Journal of Molecular Structure (2025), pp. 141737-141737
Closed Access
Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach
T.N. Lohith, M.K. Hema, C.S. Karthik, et al.
Journal of Molecular Structure (2023) Vol. 1289, pp. 135841-135841
Closed Access | Times Cited: 13
T.N. Lohith, M.K. Hema, C.S. Karthik, et al.
Journal of Molecular Structure (2023) Vol. 1289, pp. 135841-135841
Closed Access | Times Cited: 13
Structural elucidation and in-silico evaluation of 1,2,4-triazole derivative as potent Omicron variant of SARS-CoV-2 spike protein inhibitor with pharmacokinetics ADMET and drug-likeness predictions
Dheeraj Kumar, B.S. Chethan, Veeresha Gowda Shalini, et al.
Journal of Molecular Structure (2023) Vol. 1297, pp. 136976-136976
Closed Access | Times Cited: 12
Dheeraj Kumar, B.S. Chethan, Veeresha Gowda Shalini, et al.
Journal of Molecular Structure (2023) Vol. 1297, pp. 136976-136976
Closed Access | Times Cited: 12
Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materials
Shafiq urRehman, S. Fatima, Shabbir Muhammad, et al.
Journal of Molecular Graphics and Modelling (2024) Vol. 128, pp. 108723-108723
Closed Access | Times Cited: 4
Shafiq urRehman, S. Fatima, Shabbir Muhammad, et al.
Journal of Molecular Graphics and Modelling (2024) Vol. 128, pp. 108723-108723
Closed Access | Times Cited: 4
Structure property relationship in two thiazole derivatives: Insights of crystal structure, Hirshfeld surface, DFT, QTAIM, NBO and molecular docking studies
Krishna Ravi Singh, T.N. Lohith, Tamali Nag, et al.
Molecular Crystals and Liquid Crystals (2023) Vol. 763, Iss. 1, pp. 54-72
Open Access | Times Cited: 11
Krishna Ravi Singh, T.N. Lohith, Tamali Nag, et al.
Molecular Crystals and Liquid Crystals (2023) Vol. 763, Iss. 1, pp. 54-72
Open Access | Times Cited: 11
Synthesis, Characterization, and Photophysical Probing Interaction Studies on Azo‐Sulfonamides Acting as Potent Anti‐Tubercular Agents
Chethan Krishnamurthy, J. Keshavayya, Chinnaraj Yesudhasan, et al.
ChemistrySelect (2023) Vol. 8, Iss. 41
Closed Access | Times Cited: 8
Chethan Krishnamurthy, J. Keshavayya, Chinnaraj Yesudhasan, et al.
ChemistrySelect (2023) Vol. 8, Iss. 41
Closed Access | Times Cited: 8
A novel pyrazole derivative as COVID-19 main protease inhibitor: Synthesis, quantum computational studies, pharmacokinetic properties, drug likeness, molecular docking and dynamics simulation; a CADD approach
D. Rekharani, S. Naveen, Mahesha Mahesha, et al.
Chemical Physics Impact (2024) Vol. 8, pp. 100475-100475
Open Access | Times Cited: 2
D. Rekharani, S. Naveen, Mahesha Mahesha, et al.
Chemical Physics Impact (2024) Vol. 8, pp. 100475-100475
Open Access | Times Cited: 2
Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2 e )-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1 h -1,2,3-triazol-4-yl]prop-2-en-1-one
M. K. Usha, T.N. Lohith, M. Manjula, et al.
Molecular Crystals and Liquid Crystals (2024) Vol. 768, Iss. 6, pp. 11-26
Open Access | Times Cited: 2
M. K. Usha, T.N. Lohith, M. Manjula, et al.
Molecular Crystals and Liquid Crystals (2024) Vol. 768, Iss. 6, pp. 11-26
Open Access | Times Cited: 2
Synthesis, structural and exploration of non-covalent interactions of the palladium complex with the crystalline water molecule: A comprehensive quantum chemical approach
B.S. Chethan, H.R. Rajegowda, D.V. Padmaja, et al.
Journal of Molecular Structure (2022) Vol. 1274, pp. 134419-134419
Closed Access | Times Cited: 10
B.S. Chethan, H.R. Rajegowda, D.V. Padmaja, et al.
Journal of Molecular Structure (2022) Vol. 1274, pp. 134419-134419
Closed Access | Times Cited: 10
Structural elucidation, Hirshfeld surface, DFT, molecular docking and molecular dynamics studies of a novel thiazole derivative as anti-cancer drug
S. Neetha, Chikkappaiahnayaka Santhosh, T.N. Lohith, et al.
Journal of Molecular Structure (2024), pp. 140793-140793
Closed Access | Times Cited: 1
S. Neetha, Chikkappaiahnayaka Santhosh, T.N. Lohith, et al.
Journal of Molecular Structure (2024), pp. 140793-140793
Closed Access | Times Cited: 1
Quantitative investigation of the nature of non-covalent interactions in 2-((benzo[d] [1,3] dioxol-5-ylmethyl)amino)-N-phenyl-2-thioxoacetamide : insights from crystallographic, DFT analysis, molecular docking, and molecular dynamics simulation
T.N. Lohith, Krishna Ravi Singh, Mehran Feizi‐Dehnayebi, et al.
Molecular Physics (2024)
Closed Access | Times Cited: 1
T.N. Lohith, Krishna Ravi Singh, Mehran Feizi‐Dehnayebi, et al.
Molecular Physics (2024)
Closed Access | Times Cited: 1
Multi Stimuli Responsive Non‐Doped Red Emitting AIEE Active Phenothiazine‐Based Chalcones: Crystal Structure, Solvatochromism, Turn‐on Mechanofluorochromism and Acidochromism
Reshma Kumari, Marilyn Daisy Milton
European Journal of Organic Chemistry (2022) Vol. 2022, Iss. 46
Closed Access | Times Cited: 7
Reshma Kumari, Marilyn Daisy Milton
European Journal of Organic Chemistry (2022) Vol. 2022, Iss. 46
Closed Access | Times Cited: 7
Synthesis, characterisation, biological and theoretical studies of novel pyridine derivatives
Prince Kumar, K. Sunil, B.S. Chethan, et al.
Molecular Physics (2022) Vol. 120, Iss. 13
Closed Access | Times Cited: 6
Prince Kumar, K. Sunil, B.S. Chethan, et al.
Molecular Physics (2022) Vol. 120, Iss. 13
Closed Access | Times Cited: 6
The investigation of modification in structural flexibility and coordination modes in a solvent free β-diketone Cu(II) complex by crystal structure and DFT studies
Mahesha Mahesha, A.H. Udaya Kumar, K.J. Pampa, et al.
Polyhedron (2023) Vol. 232, pp. 116293-116293
Closed Access | Times Cited: 3
Mahesha Mahesha, A.H. Udaya Kumar, K.J. Pampa, et al.
Polyhedron (2023) Vol. 232, pp. 116293-116293
Closed Access | Times Cited: 3
Spectral, quantum chemical, X-ray crystallographic, Hirshfeld surface, energy framework, and molecular docking investigations of 4-acetylphenyl 4-methylbenzenesulfonate (APMBS)
Daljeet Singh, Ruchika Sharma, Anil Nikam, et al.
Journal of Molecular Structure (2023) Vol. 1295, pp. 136612-136612
Closed Access | Times Cited: 2
Daljeet Singh, Ruchika Sharma, Anil Nikam, et al.
Journal of Molecular Structure (2023) Vol. 1295, pp. 136612-136612
Closed Access | Times Cited: 2
The Pyrazole Derivative as Covid-19 Main Protease Inhibitor: Synthesis, Quantum Computational Studies, Pharmacokinetic Properties, Drug Likeness, Molecular Docking and Dynamics Simulation; a CADD Approach
Rekha Rani D, S. Naveen, Mahesha Mahesha, et al.
(2024)
Closed Access
Rekha Rani D, S. Naveen, Mahesha Mahesha, et al.
(2024)
Closed Access
Supramolecular X-ray and Quantum Chemical Analysis of 4-(2-amino-2-oxoethyl) phenyl 4-methylbenzenesulfonate: A Tosyl Ester Derivative
Daljeet Singh, Ruchika Sharma, Anil Nikam, et al.
Journal of Chemical Crystallography (2024) Vol. 54, Iss. 4, pp. 321-335
Closed Access
Daljeet Singh, Ruchika Sharma, Anil Nikam, et al.
Journal of Chemical Crystallography (2024) Vol. 54, Iss. 4, pp. 321-335
Closed Access
Design, Crystal Insights, and Non-Linear Optical Properties of a Novel Methoxy-Substituted Thiophene Chalcone: A Theoretical and Experimental Approach
P. Naresh, Mahesha Mahesha, Vinuth Raj T.N., et al.
(2024)
Closed Access
P. Naresh, Mahesha Mahesha, Vinuth Raj T.N., et al.
(2024)
Closed Access
Design a coordinated platform for coumarin-regulated delivery in line with the biological systems' growth phases
Rojan Akhbarati, Rahebeh Amiri Dehkharghani, Soheila Zamanlui Benisi
Research Square (Research Square) (2024)
Open Access
Rojan Akhbarati, Rahebeh Amiri Dehkharghani, Soheila Zamanlui Benisi
Research Square (Research Square) (2024)
Open Access
