A5069689469- RNA and protein synthesis mechanisms
- Computational Drug Discovery Methods
- RNA modifications and cancer
- DNA and Nucleic Acid Chemistry
- Heme Oxygenase-1 and Carbon Monoxide
- Advanced biosensing and bioanalysis techniques
- Synthesis and biological activity
- RNA Interference and Gene Delivery
- Nanoplatforms for cancer theranostics
- melanin and skin pigmentation
- Peptidase Inhibition and Analysis
- Monoclonal and Polyclonal Antibodies Research
- Neuropeptides and Animal Physiology
- Nanoparticle-Based Drug Delivery
- Histone Deacetylase Inhibitors Research
- Drug Transport and Resistance Mechanisms
- Biochemical Analysis and Sensing Techniques
- Diabetes Treatment and Management
- Ginger and Zingiberaceae research
- Aldose Reductase and Taurine
- Sulfur Compounds in Biology
- Estrogen and related hormone effects
- Galectins and Cancer Biology
- Cholinesterase and Neurodegenerative Diseases
- Nanocluster Synthesis and Applications
China Pharmaceutical University
2019-2024
Solapur University
2020-2024
Gyeongsang National University
2015-2020
State Key Laboratory of Natural Medicine
2020
Shivaji University
2011-2016
Antibiotic resistance is a defense mechanism, harbored by pathogens to survive under unfavorable conditions. Among several antibiotic resistant microbial consortium, Staphylococcus aureus one of the most havoc microorganisms. encodes unique enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (SaHPPK), against which, none existing antibiotics have been reported. Computational approaches instrumental in designing and discovering new drugs for diseases. The present study highlights...
In the landscape of epigenetic regulation, histone deacetylase 3 (HDAC3) has emerged as a prominent therapeutic target for design and development candidate drugs against various types cancers other human disorders. Herein, we have performed ligand-based pharmacophore modeling, virtual screening, molecular docking, MD simulations to potent selective inhibitors HDAC3. The predicted best model 'Hypo 1' showed excellent correlation (R
Prolyl oligopeptidase (POP) is a serine protease that responsible for the maturation and degradation of short neuropeptides peptide hormones. The inhibition POP has been demonstrated in treatment α-synucleinopathies several neurological conditions. Therefore, ligand-based structure-based pharmacophore models were generated validated order to identify potent inhibitors. Pharmacophore-based docking-based virtual screening drug-like database resulted 20 compounds. vitro assays indicated top...
Bruton’s tyrosine kinase (BTK) is a cytoplasmic, non-receptor which expressed in most of the hematopoietic cells and plays an important role many cellular signaling pathways. B cell malignancies are dependent on BCR signaling, thus making BTK efficient therapeutic target. Over last few years, significant efforts have been made order to develop inhibitors treat B-cell malignancies, autoimmunity or allergy/hypersensitivity but limited success has achieved. Here this study, 3D QSAR...
The World Health Organization has declared COVID-19 as a global health emergency. is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and highlights an urgent need for therapeutics. Here, we have employed series of computer-aided drug repurposing campaign to discover inhibitors RNA dependent polymerase (RdRp) Nsp15/EndoU. Subsequently, MD simulation been performed observe dynamic behavior identified leads at the active site RdRp Nsp15. We successfully novel lead...
Aptamers are small, functional single-stranded DNA or RNA oligonucleotides that bind to their targets with high affinity and specificity. Experimentally, aptamers selected by the systematic evolution of ligands exponential enrichment (SELEX) method. Here, we have used rational drug designing bioinformatics methods design aptamers, which involves three different steps. First, finding a probable aptamer-binding site, second, recognition structural parts generating virtual library sequences,...
Modified nucleic acid bases are most commonly found in tRNA. These may contain modifications from simple methylation to addition of bulky groups. Methylation the four canonical nucleotide at a wide variety positions is particularly prominent among known modification. N2 group guanine relatively common modification tRNA and rRNA. N2-methylguanosine (m2G) second often encountered nucleoside E. coli tRNAs. N2, N2-dimethylguanosine (m22G) majority eukaryotic tRNAs involved forming base pair...
Breast cancer (BC) is the leading cause of death among women worldwide devoid effective treatment. It therefore important to develop agents that can reverse, reduce, or slow growth BC. The use natural products as chemopreventive provides enormous advantages. aim current investigation determine efficacy phytochemicals against BC along with approved drugs screen most desirable and phytocompound. In study, 36 have been evaluated aromatase identify potential candidate drug employing Cdocker...
The structural significance of the hypermodified nucleosides lysidine (k2C) and N6-(N-threonylcarbonyl) adenosine (t6A) present in anticodon loop E. coli tRNAIle has not been studied detail theoretically at atomic level. Hence, paper, we investigated conformational preferences modified k2C t6A using various quantum chemical methods. Multiple molecular dynamics simulation studies stem (ASL) have also made to see solvation effect. lysine moiety orients back forms a hydrogen bond with...
High level of hematopoietic cell kinase (Hck) is associated with drug resistance in chronic myeloid leukemia. Additionally, Hck activity has also been connected the pathogenesis HIV-1 and obstructive pulmonary disease. In this study, three-dimensional (3D) QSAR pharmacophore models were generated for based on experimentally known inhibitors. A best model, Hypo1, was developed high correlation coefficient (0.975), Low RMS deviation (0.60) large cost difference (49.31), containing three ring...
Tyrosinase plays an important role in melanin biosynthesis and protects skin against ultraviolet radiations. Functional deficiency of tyrosinase results serious dermatological diseases. also participates neuromelanin formation the human brain, which leads to neurodegeneration resulting Parkinson's disease. In fruits vegetables, a critical senescence, causing undesired browning that faster deterioration shorter shelf lines. The only commercially available is mushroom it shows highest homology...
A series of 15 thiazolyl hydrazone derivatives chromone-3- carbaldehyde have been designed and synthesized by the cyclization thiosemicarbazone chromone-3-carbaldehydes with 4'-substituted-2-bromo acetophenones.
Aromatase inhibitors with an $\mathrm{IC}_{50}$ IC 50 value ranging from 1.4 to 49.7 µM are known act as antiepileptic drugs besides being potential breast cancer inhibitors. The aim of the present study is identify novel aromatase higher activity exploiting ligand-based pharmacophore approach utilizing experimentally resultant Hypo1 consists four features and was further validated by using three different strategies. allowed screen databases lead molecules were subjected Lipinski's Rule...