In the title mol-ecule, C(7)H(7)N(5)S, the pyridyl and triazole rings form a dihedral angle of 20.07 (6)°. Inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains extended in the direction [10]. Further stability is provided by π⋯π stacking inter-actions, indicated by short distances between the centroids of triazole rings [3.480 (5) Å] and pyridyl rings [3.574 (5) Å] of neighbouring mol-ecules.
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http://dx.doi.org/10.1107/S1600536807064331 | DOI Listing |
Chem Biodivers
January 2025
NMIMS Deemed to be University - Mumbai Campus: NMIMS, Shobhaben Pratapbhai Patel School of Pharmacy and Technology Management, SPPSPTM, VILE PARLE WEST, 400056, Mumbai, INDIA.
Acetohydroxyacid synthase (AHAS) is a vital enzyme in Mycobacterium tuberculosis, the pathogen causing tuberculosis (TB), involved in branched-chain amino acid synthesis. Targeting AHAS for drug design against TB offers a promising strategy due to its essentiality in bacterial growth. In current investigation, we have designed 160 novel compounds by leveraging key scaffolds identified through structure-based drug design (SBDD) methodologies.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2025
Synchrotron SOLEIL, L'Orme des Merisiers, BP48, Saint Aubin, 91192, Gif-sur-Yvette, France.
The synthesis, crystal structure, Hirshfeld analysis, and anti-fungal assessment of a new monohydrated Schiff base with a triazole moiety are reported. The structural study revealed the presence of three significant hydrogen bonds (N-H⋯N, O-H⋯N, and O-H⋯O), which contribute to the cohesion of the crystal. These bonds generate two-dimensional layers parallel to the plane, built on the basis of rings with the graph-set motifs (8) and (24).
View Article and Find Full Text PDFJ Biomol Struct Dyn
December 2024
Laboratory of Drug Design and Discovery, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India.
Selective inhibition of histone deacetylase 8 (HDAC8) has emerged as a promising approach for treating various diseases, including cancer. However, finding key structural features for HDAC8 inhibition and developing effective and selective HDAC8 inhibitors (HDAC8s) pose significant challenges. In the past few years, the development of various scaffolds for inhibiting HDAC8 has significantly risen and the quest continues.
View Article and Find Full Text PDFMol Divers
December 2024
Department of Pharmaceutical Chemistry, ISF College of Pharmacy, Moga, Punjab, India.
Acquired immunodeficiency syndrome (AIDS) poses a significant threat to life. Antiretroviral therapy is employed to diminish the replication of the human immunodeficiency virus (HIV), extending life expectancy and improving the quality of patients' lives. These HIV-1 integrase inhibitors form robust covalent interactions with Mg ions, contributing to their tight binding, thereby inhibiting the integration of viral DNA into the CD4 cell DNA.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
December 2024
Departamento de Química Orgánica, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, Ciudad Universitaria, s/n, 28040-, Madrid, Spain.
Herein, we report the synthesis of the naphthalendiimides (NDIs) 1-3 endowed with peripheral 3,4,5-trialkoxybenzamide units and a variable number of 1,2,3-triazole rings. Both the benzamide units and the triazole rings are able to form six- or seven-membered intramolecularly H-bonded pseudocycles that behave as metastable monomeric units. Whilst freshly prepared solutions of 1-3 afford H-type aggregates, the presence or lack of the 1,2,3-triazole rings strongly conditions the kinetics and stability of the resulting aggregated species.
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