Multifaceted exploration of acylthiourea compounds: In vitro cytotoxicity, DFT calculations, molecular docking and dynamics simulation studies.

Autor: Haribabu J; ATACAMA-OMICS, Faculty of Medicine, University of Atacama, Los Carreras 1579, 1532502 Copiapo, Chile; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600025, Tamil Nadu, India. Electronic address: jebiti.haribabu@uda.cl., Madhavan G; Chennai Institute of Technology (CIT), Chennai 600069, Tamil Nadu, India., Swaminathan S; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600025, Tamil Nadu, India., Panneerselvam M; MolMod-CS - Instituto de Química, Universidade Federal Fluminense, Campos de Valonginho s/n, Centro, Niterói 24020-14, Rio de Janeiro, Brazil., Moraga D; Laboratorio de Fisiología, Departamento de Ciencias Biomédicas, Facultad de Medicina Universidad de Tarapacá, Arica 1000000, Chile., Dasararaju G; Chennai Institute of Technology (CIT), Chennai 600069, Tamil Nadu, India. Electronic address: drdgayathri@gmail.com., Echeverria C; ATACAMA-OMICS, Faculty of Medicine, University of Atacama, Los Carreras 1579, 1532502 Copiapo, Chile., Arulraj A; Departamento de Electricidad, Facultad de Ingeniería, Universidad Tecnológica Metropolitana (UTEM), Av. José Pedro Alessandri 1242, Ñuñoa-7800002, Santiago, Chile., Mangalaraja RV; Faculty of Engineering and Sciences, Universidad Adolfo Ibáñez, Diagonal las Torres 2640, Peñalolén, Santiago, Chile; Department of Mechanical Engineering, Faculty of Engineering, Karpagam Academy of Higher Education, Coimbatore 641 021, Tamil Nadu, India., Kokkarachedu V; Facultad de Ingeniería, Arquitectura y Diseño, Universidad San Sebastián, Lientur 1457, Concepción, Chile., Santibanez JF; Institute for Medical Research, National Institute of the Republic of Serbia, University of Belgrade, Belgrade, Serbia; Integrative Center for Biology and Applied Chemistry (CIBQA), Universidad Bernardo O'Higgins, Santiago, Chile., Ramirez-Tagle R; Facultad de Ingeniería y Arquitectura, Universidad Central de Chile, Santiago, Chile.

Publikováno v: International journal of biological macromolecules [Int J Biol Macromol] 2024 Oct; Vol. 278 (Pt 3), pp. 134870. Date of Electronic Publication: 2024 Aug 22.

Orphan receptor GPR88 as a potential therapeutic target for CNS disorders - an in silico approach.

Autor: Garisetti V; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Chennai, Tamil Nadu, India., Dhanabalan AK; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Chennai, Tamil Nadu, India., Dasararaju G; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Chennai, Tamil Nadu, India.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Jun; Vol. 42 (9), pp. 4745-4758. Date of Electronic Publication: 2023 Jun 12.

Non-carboxylic acid inhibitors of aldose reductase based on N-substituted thiazolidinedione derivatives.

Autor: Mohd Siddique MU; Department of Pharmaceutical Sciences & Technology, Mesra, Ranchi, 835215, (JH), India; Department of Pharmaceutical Chemistry, Shri Vile Parle Kelavani Mandal's Institute of Pharmacy, Dhule, 424001, (MH), India. Electronic address: palladiumsalt@gmail.com., Thakur A; Department of Chemistry, University of Miami, Coral Gables, Florida, 33146, USA. Electronic address: axt651@miami.edu., Shilkar D; Department of Pharmaceutical Sciences & Technology, Mesra, Ranchi, 835215, (JH), India. Electronic address: deepakshilkar@live.com., Yasmin S; Department of Pharmaceutical Sciences & Technology, Mesra, Ranchi, 835215, (JH), India; Department of Pharmaceutical Chemistry, College of Pharmacy, King Khalid University, Abha, 61441, Saudi Arabia. Electronic address: Sabinayasmin20@gmail.com., Halakova D; Institute of Experimental Pharmacology and Toxicology, CEM, Slovak Academy of Sciences, Bratislava, Slovak Republic. Electronic address: dominika.halakova@gmail.com., Kovacikova L; Institute of Experimental Pharmacology and Toxicology, CEM, Slovak Academy of Sciences, Bratislava, Slovak Republic. Electronic address: lucia.kovacikova@savba.sk., Prnova MS; Institute of Experimental Pharmacology and Toxicology, CEM, Slovak Academy of Sciences, Bratislava, Slovak Republic. Electronic address: marta.prnova@savba.sk., Stefek M; Institute of Experimental Pharmacology and Toxicology, CEM, Slovak Academy of Sciences, Bratislava, Slovak Republic. Electronic address: milan.stefek@savba.sk., Acevedo O; Department of Chemistry, University of Miami, Coral Gables, Florida, 33146, USA. Electronic address: orlando.acevedo@miami.edu., Dasararaju G; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, 600025, (TN), India. Electronic address: drdgayathri@gmail.com., Devadasan V; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, 600025, (TN), India. Electronic address: shirai2011@gmail.com., Mondal SK; TCG Life Sciences Ltd, Block-EP & GP, BIPL, Tower-B, Saltlake, Sector-V, Kolkata, 700091, (WB), India. Electronic address: susanta.mondal@tcgls.com., Jayaprakash V; Department of Pharmaceutical Sciences & Technology, Mesra, Ranchi, 835215, (JH), India. Electronic address: venkatesanj@bitmesra.ac.in.

Publikováno v: European journal of medicinal chemistry [Eur J Med Chem] 2021 Nov 05; Vol. 223, pp. 113630. Date of Electronic Publication: 2021 Jun 12.

Anti-Cancer Compounds from Terrestrial and Marine Resources -In silico and Experimental Studies.

Autor: Devadasan V; Department of Biotechnology, SRM Institute of Science and Technology, Kattankulathur - 603203, Kanchipuram District, India., Raman P; Department of Biotechnology, SRM Institute of Science and Technology, Kattankulathur - 603203, Kanchipuram District, India., Dasararaju G; CAS in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai-600025, India.

Publikováno v: Current computer-aided drug design [Curr Comput Aided Drug Des] 2021; Vol. 17 (7), pp. 865-880.

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