Search Results - "C. S., Vasavi"

Revealing the drug resistance mechanism of saquinavir due to G48V and V82F mutations in subtype CRF01_AE HIV-1 protease: molecular dynamics simulation and binding free energy calculations by C. S., Vasavi, Munusami, Punnagai

“…Human immunodeficiency virus-1 (HIV-1) protease is one of the important targets in AIDS therapy. The majority of HIV infections are caused due to non-B…”
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PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications by Korlepara, Divya B., C. S., Vasavi, Srivastava, Rakesh, Pal, Pradeep Kumar, Raza, Saalim H., Kumar, Vishal, Pandit, Shivam, Nair, Aathira G., Pandey, Sanjana, Sharma, Shubham, Jeurkar, Shruti, Thakran, Kavita, Jaglan, Reena, Verma, Shivangi, Ramachandran, Indhu, Chatterjee, Prathit, Nayar, Divya, Priyakumar, U. Deva

“…Computing binding affinities is of great importance in drug discovery pipeline and its prediction using advanced machine learning methods still remains a major…”
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Synthesis, characterization and biological applications of new copper(II) complexes of aryl hydrazones by Tummalapalli, Kiran, C. S., Vasavi, Munusami, Punnagai, Pathak, Madhvesh, M. M., Balamurali

“…On treatment of copper(II) acetate with aryl hydrazone ligands, four new solid derivatives of copper(II) were produced in appreciable yields. Various…”
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Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications by Korlepara, Divya B., Vasavi, C. S., Srivastava, Rakesh, Pal, Pradeep Kumar, Raza, Saalim H., Kumar, Vishal, Pandit, Shivam, Nair, Aathira G., Pandey, Sanjana, Sharma, Shubham, Jeurkar, Shruti, Thakran, Kavita, Jaglan, Reena, Verma, Shivangi, Ramachandran, Indhu, Chatterjee, Prathit, Nayar, Divya, Priyakumar, U. Deva

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PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications by Korlepara, Divya B., Vasavi, C. S., Jeurkar, Shruti, Pal, Pradeep Kumar, Roy, Subhajit, Mehta, Sarvesh, Sharma, Shubham, Kumar, Vishal, Muvva, Charuvaka, Sridharan, Bhuvanesh, Garg, Akshit, Modee, Rohit, Bhati, Agastya P., Nayar, Divya, Priyakumar, U. Deva

“…Computational methods and recently modern machine learning methods have played a key role in structure-based drug design. Though several benchmarking datasets…”
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Evaluation of DNA/Protein interactions and cytotoxic studies of copper(II) complexes incorporated with N, N donor ligands and terpyridine ligand by Tummalapalli, Kiran, C.S, Vasavi, Munusami, Punnagai, Pathak, Madhvesh, M.M., Balamurali

“…[Display omitted] A series of four new heteroleptic derivatives of copper(II) synthesized and structurally characterized as a distorted square-pyramidal…”
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Exploring the drug resistance mechanism of active site, non-active site mutations and their cooperative effects in CRF01_AE HIV-1 protease: molecular dynamics simulations and free energy calculations by C.S., Vasavi, Tamizhselvi, Ramasamy, Munusami, Punnagai

“…Human immunodeficiency virus type 1 protease is essential for virus replication and maturation and has been considered as one of the important drug target for…”
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Design, synthesis and identification of novel coumaperine derivatives for inhibition of human 5-LOX: Antioxidant, pseudoperoxidase and docking studies by Muthuraman, Subramani, Sinha, Shweta, Vasavi, C.S., Waidha, Kamran Manzoor, Basu, Biswarup, Munussami, Punnagai, Balamurali, M.M., Doble, Mukesh, Saravana Kumar, Rajendran

“…Pepper based compounds developed as potent 5-LOX inhibitors. Coumaperine derivatives substituted with multiple methoxy and hydroxyl groups exhibited high 5-LOX…”
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2,3-Dihydroquinazolin-4(1H)-ones: Visible light mediated synthesis, solvatochromism and biological activity by Hemalatha, K., Madhumitha, G., Vasavi, C.S., Munusami, Punnagai

“…[Display omitted] •2,3-Dihydroquinazolin-4(1H)-ones synthesized under visible light.•Solvatochromism studies have been carried out.•In vitro anti-inflammatory…”
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Combinatorial Bat Optimization for WSN with Hoover Index Clustering by M, Gurupriya, S, Vasavi C., Ramasamy, Gayathri, B, Karthikeyan

“…The rise in popularity of wireless sensor networks (WSNs) has garnered a lot of attention and offers a variety of manufacturing industries and residential day…”
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Drug Resistance Mechanism of L10F, L10F/N88S and L90M mutations in CRF01_AE HIV-1 protease: Molecular dynamics simulations and binding free energy calculations by Vasavi, C.S., Tamizhselvi, Ramasamy, Munusami, Punnagai

“…[Display omitted] •The molecular basis of NFV resistance due to strongly linked L10F/N88S mutation and L90M mutation in AE-protease was analyzed.•Due to…”
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In Silico Molecular Docking and In Vitro Antidiabetic Studies of Dihydropyrimido[4,5-a]acridin-2-amines by Roopan, Selvaraj Mohana, Bharathi, A., Vasavi, C. S., Munusami, Punnagai, Gayathri, G. A., Gayathri, M.

“…An in vitro antidiabetic activity on α-amylase and α–glucosidase activity of novel…”
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Biological Evaluation of Synthesized N‐Cinnamoyl Phenothiazine Derivatives by Selvendran, Suresh, J, Brindha, CS, Vasavi, Munussami, Punnagai, Pattusamy, Nithya, Chanda, Kaushik, MM, Balamurali, Rajendran, Saravanakumar

“…N‐Cinnamoyl phenothiazines were synthesized and characterized by various spectroscopic techniques including vibrational, nuclear magnetic resonance and mass…”
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In silico analysis of drug resistance in wild type and mutant HIV-1 subtype d protease by Munusami, Punnagai, Vasavi, CS

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Synthesis, spectroscopic characterization and in vitro studies of new heteroleptic copper (II) complexes derived from 2-hydroxy napthaldehyde Schiff’s bases and N, N donor ligands: Antimicrobial, DNA binding and cytotoxic investigations by Kiran, Tummalapalli, Prasanth, Vuppalapati Giri, Balamurali, M.M., Vasavi, C.S., Munusami, Punnagai, Sathiyanarayanan, Kulathu Iyer, Pathak, Madhvesh

“…Eight novel metallacyclic derivatives of copper (II) have been synthesized and structurally characterized as a pent-coordination around central metal…”
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A Cost-Sensitive Learning Approach with Multi-Class Classification and Undersampling Techniques for Pest Identification in the Coconut Leaf Dataset by Ramasamy, Gayathri, Gurupriya, M, Vasavi, C S, Karthikeyan, B

“…Pest management is a critical aspect of sustainable agriculture, and accurate identification of pests in crops is essential for effective mitigation…”
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Computational Modeling and Simulation of Biomolecular Motors by Shwetha, M., Suchitra, M., Vasavi, C.S., Radhagayathri, K.U., Krishnan, N.P.K., Gopakumar, D.

“…Molecular motors can be considered as biological molecular devices that are indispensable agents or machines for movement in living organisms. The most common…”
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