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Homology modeling of human histone deacetylase 10 and design of potential selective inhibitors
(Taylor & Francis Inc, 2019)
Histone deacetylases (HDACs) are implicated in the pathology of various cancers, and their pharmacological blockade has proven to be promising in reversing the malignant phenotypes. However, lack of crystal structures of ...
Intermolecular interactions in human HDAC8 crystal structures and the stability of binding modes of co-crystallized inhibitors
(Amer Chemical Soc, 2019)
[Abstract Not Available]
Investigation of intrinsic dynamics and allosteric coupling in human beta 2-adrenergic receptor
(Springer, 2017)
[Abstract Not Available]
Evaluation of the fractal dimension of polyacrylamide during gelation and swelling
(Elsevier, 2021)
[Abstract Not Available]
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
(Taylor & Francis, 2020)
Histone deacetylase (HDAC) 10 has been implicated in the pathology of various cancers and neurodegenerative disorders, making the discovery of novel inhibitors of the isoform an important endeavor. However, the unavailability ...
Antifungal screening and in silico mechanistic studies of an in-house azole library
(2019)
Systemic Candida infections pose a serious public health problem with high morbidity and mortality. C. albicans is the major pathogen identified in candidiasis; however, non-albicans Candida spp. with antifungal resistance ...
Synthesis, biological evaluation and molecular docking studies of bis-chalcone derivatives as xanthine oxidase inhibitors and anticancer agents
(Elsevier, 2019)
In this study, a series of B-ring fluoro substituted bis-chalcone derivatives were synthesized by Claisen-Schmidt condensation reactions and evaluated for their ability to inhibit xanthine oxidase (XO) and growth inhibitory ...
Holocene climate forcings and lacustrine regime shifts in the Indian summer monsoon realm
(Wıley, 2020)
Extreme climate events have been identified both in meteorological and long-term proxy records from the Indian summer monsoon (ISM) realm. However, the potential of palaeoclimate data for understanding mechanisms triggering ...
Synthesis, molecular modeling, in vivo study and anticancer activity against prostate cancer of (+) (S)-naproxen derivatives
(Elsevier Masson s.r.l., 2020)
In this study, (S)-naproxen thiosemicarbazides (3a-d), 1,2,4-triazoles (4a-c), triazole-thioether hybride compounds (5a-p) were synthesized and their structures (3a, 3d, 4a and 5a-p) were confirmed by FT-IR, 1H NMR,13C ...
Synthesis, in silico studies and cytotoxicity evaluation of novel 1,3,4-oxadiazole derivatives designed as potential mPGES-1 inhibitors
(MARMARA UNIV, 2020)
A series of new 1,3,4-oxadizole derivatives containing thioether group, has been synthesized to investigate their mPGES-1 inhibitory activities. The synthesized compounds were also evaluated for their anticancer and COX-1/2 ...