A5034495853- Galectins and Cancer Biology
- Synthesis and biological activity
- Cancer therapeutics and mechanisms
- Click Chemistry and Applications
- Toxin Mechanisms and Immunotoxins
- Enzyme function and inhibition
- Synthesis and Biological Evaluation
- Computational Drug Discovery Methods
- Sirtuins and Resveratrol in Medicine
- Synthesis and Catalytic Reactions
- Tuberculosis Research and Epidemiology
- Biochemical and Molecular Research
- Glycosylation and Glycoproteins Research
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Chemical Reactions and Mechanisms
- Peptidase Inhibition and Analysis
- Quinazolinone synthesis and applications
- Phenothiazines and Benzothiazines Synthesis and Activities
- Bioactive Compounds and Antitumor Agents
- RNA and protein synthesis mechanisms
- Calcium signaling and nucleotide metabolism
- Multicomponent Synthesis of Heterocycles
- Signaling Pathways in Disease
- Pharmacological Effects and Assays
National Institute of Pharmaceutical Education and Research
2014-2024
National Institute of Pharmaceutical Education and Research
2014-2024
Narsee Monjee Institute of Management Studies
2021
International Institute of Information Technology, Hyderabad
2021
Management Sciences (United States)
2021
University of Hyderabad
2010-2020
Institute of Life Sciences
2010-2017
Birla Institute of Technology and Science, Pilani
2011-2014
Birla Institute of Technology and Science - Hyderabad Campus
2011-2013
Abstract A series of novel morpholines linked coumarin–triazole hybrids ( 6a–6v ) has been synthesized and evaluated for their anti‐proliferative potential on a panel five human cancer cell lines, namely bone MG ‐63), lung (A549), breast MDA ‐ MB ‐231), colon HCT ‐15) liver (HepG2), using MTT assay. Among all, the compound 6n {7‐((1‐(2,4‐dichlorobenzyl)‐1H‐1,2,3‐triazol‐4‐yl) methoxy)‐4‐((2,6‐dimethylmorpholino) methyl)‐2H‐chromen‐2‐one} showed significant growth inhibition against ‐63 cells...
A series of imidazo[1,5-a]pyridine-benzimidazole hybrids (5a–aa) were prepared and evaluated for their cytotoxic activity against a panel sixty human tumor cell lines. Among them compounds 5d 5l showed significant with GI50 values ranging from 1.06 to 14.9 μM 0.43 7.73 μM, respectively. Flow cytometric analysis revealed that these arrest the cycle at G2/M phase induced death by apoptosis. The tubulin polymerization assay (IC50 is 3.25 1.71 μM) immunofluorescence effectively inhibited...
A novel machine learning framework based on Bayesian optimization for efficient sampling of chemical space. The is able to identify 90% top-1000 hits by only 6% the complete dataset containing ∼100 million compounds.
Aim: To develop novel non-carbohydrate inhibitors of human galectin-1 (GAL-1), we have designed a series coumarin–benzimidazole hybrids. Methods: We synthesized and characterized the hybrids further evaluated them using an in vitro GAL-1 enzyme-linked immunosorbent assay silico methods. Results: Among all, compounds 6p 6q were found to be potent, with inhibition 37.61 36.92%, respectively, at 10 μM GAL-1-expressed cell culture supernatant MCF-7 cells. These two are feasible for fluorine-18...
The natural variant C491T (rs1800088) in ADRB2 gene substitutes Threonine to Isoleucine at 164th position β2AR and results receptor sequestration altered binding of agonists. Present investigation pursues identify the effect T164I variation on function structure through systematic computational approaches. study, addition, addresses salbutamol molecular dynamic simulations. Methods involving changes free energy, solvent accessibility surface area, root mean square deviations analysis cavity...
The current tuberculosis (TB) treatment is challenged by a complex first-line for drug-sensitive (DS) TB. Additionally, the prevalence of multidrug (MDR)- and extensively drug (XDR)-resistant TB necessitates search new prototypes. We synthesized screened 30 hybrid compounds containing aminopyridine 2-chloro-3-formyl quinoline to arrive at compound with potent antimycobacterial activity, UH-NIP-16. Subsequently, activity against DS MDR Mycobacterium (M.tb) strains were performed. It...
A new one-pot synthesis of 2-(hetero)aryl indolesvia sequential C–C coupling followed by C–Si bond cleavage and a subsequent tandem C–C/C–N forming reaction is described. variety functionalized indole derivatives were prepared conducting this four step under Pd/C–Cu catalysis. The methodology involved (trimethylsilyl)acetylene with iodoarenes in the presence 10% Pd/C–CuI–PPh3 triethylamine MeOH, treating mixture K2CO3 aqueous finally o-iodoanilides. single crystal X-ray data synthesized...
In the present study, we identified carvacrol, a major phenolic component of oregano oil as novel small molecule inhibitor Mycobacterium tuberculosis (MTB) chorismate mutase (CM) enzyme with IC50 1.06 ± 0.4 µM. Virtual screening BITS-Pilani in-house database using crystal structure MTB CM bound transition state intermediate (PDB: 2FP2) framework carvacrol potential lead. Further various derivatives were evaluated in vitro for their ability to inhibit enzyme, whole cell and cytotoxicity steps...
Here, we report 5-hydroxy-1,2,3,4,4a,9a-hexahydro-1,4-ethano-9,10-anthraquinone (13), a small molecule generating reactive oxygen species (ROS) in pH 7.4 buffer under ambient aerobic conditions that has selective and potent Mycobacterium tuberculosis growth inhibitory activity.