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Introduction
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Publications
Publications (63)
Alzheimer’s disease is a progressive neurodegenerative condition marked by cognitive deterioration, memory deficits and behavioural changes, underscoring the pressing need for innovative therapeutic strategies. While acetylcholinesterase (AChE) inhibitors remain a cornerstone in managing cholinergic dysfunction in AD, the multifaceted nature of the...
Novel antimicrobial drugs are required to fight the serious global health challenge of antibiotic resistance. In this study, 12 hybrids ofdiarylsulfide (DAS) piperazine-amide 8a-l were synthesized. All the 12 compounds were assessed for the antibacterial study againstGram-positive and Gram-negative bacteria. Antibacterial structure-activity relatio...
Antibiotic resistance is a significant global health concern, and innovative antimicrobial agents are needed to combat this. A study aimed to synthesize and assess the antibacterial activity of sulfonyl piperazine hybrids linked by arylthioether-amide. Nine derivatives were evaluated against Gram-positive and Gram-negative bacteria. Compounds 9b, 9...
Background
Cancer-associated inflammation can be initiated by mutations and can contribute to malignant tumors through the recruitment and activation of inflammatory cells. Tumor necrosis factor (TNF, also known as TNF-α) released from macrophages and T-lymphocytes was known in the late 1970s as having the capability to suppress neoplasm cell proli...
Background:
BACE1 (beta-site amyloid precursor protein (APP) cleaving enzyme) is a key target for Alzheimer's disease research because it catalyses the rate-limiting step in the formation of amyloid protein (Aβ). Natural dietary flavonoids have gained a lot of interest as potential Alzheimer's therapy candidates because of their anti-amyloidogenic,...
Cancer is irregular growth of cells and formation of tumor. There are approximately 9.6 million death reported globally. It is caused by physical or genetic factor. There are various targets for the inhibition of growth of cancerous cells. Inhibition of colchicines binding site of tubulin is promising target in field of cancer management. In this s...
Background
A great array of nitrogen-containing heterocyclic rings were being extensively explored for their functional versatility in the field of medicine especially in anticancer research. 1,3,4-thiadiazole is one of such heterocyclic ring with promising anticancer activity against several cancer cell lines, inhibiting diverse biological targets...
Background
Alzheimer’s disease (AD) is increasingly being recognized as one of the lethal diseases in older people. Acetylcholinesterase (AChE) has proven to be the most promising target in AD, used for designing drugs against AD.
Methods
In silico studies, 2D- or 3D-QSAR like hologram QSAR (HQSAR), Topomer comparative molecular field analysis (To...
Ethnopharmacological relevance:
The prescription of Shenling Baizhu San (SLBZS) was derived from the Song Dynasty "Taiping Huimin Heji Ju Fang", which was a representative prescription for treating spleen asthenic diarrhea. The prescription comprised of 10 herbs for treating weak spleen and stomach. It describes symptoms like eating less, loose st...
A series of pyrazoline derivatives were synthesized and their structures have been characterized by IR, ¹H NMR, ¹³C NMR, mass spectral and elemental analysis. The novel compounds were designed as Mycobacterium tuberculosis shikimate kinase (MtSK) inhibitors based on docking studies using Sybyl-X 2.0 software. In silico ADMET predictions revealed th...
In efforts to develop new antitubercular agents, we report here the synthesis of a series of novel pyrrole hydrazine derivatives. The molecules were evaluated against inhibitors of InhA, which is one of the key enzymes involved in type II fatty acid biosynthetic pathway of the mycobacterial cell wall as well as inhibitors of Mycobacterium tuberculo...
Nanotechnology involves the manipulation of structures and devices whose sizes range between 1 and 100. nm at least in one dimension. Such materials display novel properties and functionalities that are significantly different than those of the bulk counterparts. Chitosan-based nanomaterials are among the most widely explored natural polysaccharide...
In the present study, drug target was identified by using KEGG database and network analysis through Cytoscape software. Designed series of novel benzimidazoles were taken along with reference standard Flibanserin for insilico modeling. The novel 4-(1H-benzo[d]imidazol-2-yl)-N-(substituted phenyl)-4-oxobutanamide (3a-j) analogues were synthesized a...
Enoyl-ACP reductase is the key enzyme involved in FAS-II synthesis of mycolic acid in bacterial cell wall and is a promising target for discovering new chemical entity. The designed pharmacophores are the possible better tools to combat mutation in enoyl-ACP enzyme, which leads to a decrease in volume of triclosan binding site. Compound 3a showed H...
This study was designed to examine the interaction of histamine H2-receptor antagonist drug ranitidine (RTN) with human serum albumin by multi-spectroscopic methods. The experimental results showed the involvement of dynamic quenching mechanism which was further confirmed by lifetime spectral studies. The binding constants (K
a) at three temperatur...
New series of quinoline derivatives were synthesized from 2-chloroquinoline-3-carbaldehydes. In the reaction sequence, substituted acetanilides were cyclized to give 2-chloroquinoline-3-carbaldehydes 2a–d, which were transformed to 6a–d, which were then cyclized to give azetidinones 9a–d. The key scaffolds viz., 2-methoxy derivatives 3a–d, obtained...
Purpose: The purpose of the research was to synthesise novel pyrrole derivatives as antitubercular agents. Methodology: A series of various 5-(4-(1H-pyrrol-1-yl)phenyl)-1,3,4-oxadiazol-2-yl substituted benzothioate derivatives (5a-s) were synthesized. The newly synthesized compounds were characterized on the basis of IR, NMR and Mass spectra. The n...
A new series of pyrrolyl phenoxy derivatives bearing alkoxy linker were synthesized and evaluated for anti-tubercular activity (anti-TB) against Mycobacterium tuberculosis. Molecular modeling, pharmacophore constructed using GALAHAD to produce an effective alignment of data set and evaluated by Pareto ranking. The pharmacophore features were filter...
The interaction between fosfomycin (FOS) and bovine serum albumin (BSA) has been investigated effectively by multi-spectroscopic techniques under physiological pH 7.4. FOS quenched the intrinsic fluorescence of BSA via static quenching. The number of binding sites n and observed binding constant KA were measured by fluorescence quenching method. Th...
In the present study we report synthesis, molecular modeling and antitubercular evaluation of
pyrrolyl oxadiazole derivatives. The result indicated that, the synthesized compounds
exhibited moderate antitubercular activity. In docking analysis it is cleared that compound 5a
and 5b bounds tightly to the Enoyl ACP-reductase enzyme (CScore 6.80 and 6....
Docking experiments on the published crystal structure of enoyl-ACP reductase (1C14.PDB) with potent phenoxy triazoles, phenoxy oxadiazoles, and fused phenoxy triazole compounds have been described to indicate that {2-[(4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]-4-bromophenyl}(phenyl)methanone (compound 2) binds to the enzyme activ...
Introduction:
The ever-increasing developments in pharmaceutical formulations have led to the widespread use of biodegradable polymers in various forms and configurations. In particular, interpenetrating network (IPN) and semi-IPN polymer structures that are capable of releasing drugs in a controlled manner have gained much wider importance in rec...
The
antibacterial target, enoyl-acyl carrier protein (ACP) reductase, is a homotetrameric enzyme that catalyzes the last reductive step of fatty acid biosynthesis. In the present paper, Surflex docking and 3D-QSAR studies viz., CoMFA and topomer CoMFA have been carried out on a series (53 compounds) of enoyl ACP reductase inhibitors. An alignment r...
A series of 2-(1H-pyrrol-1-yl)-5-substituted-1,3,4-oxadiazoles derivatives were prepared and evaluated for their antitubercular activity. These derivatives were synthesized by the reaction of 5-substituted-1,3,4-oxadiazol-2-amines (4 a-j) with 2,5-dimethoxytetrahydrofuran in dried acetic acid. Structures of the newly synthesized compounds were conf...
The emergence of drug resistant strains of important human pathogens has created an urgent necessity to find new targets and novel antitubercular agents. According to the literature survey, we noticed that enoyl ACP reductase is one of the most promising targets. This enzyme is the most important catalyst for the FAS II synthesis of mycolic acid, w...
Inter-polymer complexes (IPCs) of chitosan (CS) and cellulose acetate phthalate (CAP) have been prepared to develop spherical microspheres by a novel emulsion-solvent evaporation technique. The microspheres were used for the oral delivery of 5-fluorouracil (5-FU), an antimetabolite and antineoplastic agent, whose release time was extended up to 12...
Tuberculosis treatment remains a challenge that requires new antitubercular agents due to the
emergence of multidrug-resistant Mycobacterium strains. This paper describes the molecular
modeling, synthesis, antitubercular activity and spectral analysis of Schiff bases of pyrrolyl
1,2,4-triazoles. The binding mode of the compounds at the active si...
Increased interest in developing novel micro/nanohydrogel based formulations for delivering macromolecular therapeutics has led to multiple choices of biodegradable and biocompatible natural polymers. This interest is largely due to the availability of large number of highly pure recombinant proteins and peptides with tunable properties as well as...
Introduction:
The past decade of research has witnessed a huge advancement in research efforts on guar gum (GG)-based polymers as controlled release (CR) formulations for the delivery of therapeutics.
Areas covered:
The unique structure and beneficial properties of GG makes it an attractive biomaterial in CR applications. Current status on GG-ba...
Designing compounds having good anti-tubercular activity is gaining much importance in the area of tuberculosis research due to the reemergence of antibiotic resistance strains. In this study, quantitative structure activity relationship (QSAR) of a group of 55 anti-tubercular agents with varying structures and potencies, CoMFA, Topomer CoMFA, and...
A new series of pyrrole derivatives have been designed, synthesized, and their structures have been elucidated along with the evaluation of antitubercular activity against Mycobacterium tuberculosis H37Rv using the microplate alamar blue assay method and antibacterial activity against Staphylococcus aureus, Bacillus subtilis, Klebsiella pneumoniae,...
Pyrrole is one of the main five membered heterocyclic systems reported for its various chemotherapeutic activities. Subsequently , pyrroles have been highlighted as the important biologically active scaffolds. This review focuses on the synthesis, reactions and pharmacological activity associated with pyrroles, and its derivatives. Microwave-assist...
The interaction between the human serum albumin (HSA) and drug, fosfomycin disodium salt (FOS) has been studied by different spectroscopic techniques. The experimental results showed a static quenching mechanism in the interaction of FOS with HSA. The number of binding sites, n and observed binding constant K
a were measured by fluorescence quenchi...
Export Date: 4 April 2014, Source: Scopus
Export Date: 4 April 2014, Source: Scopus
Export Date: 4 April 2014, Source: Scopus, Article in Press
Enoyl-ACP reductases catalyze the final step in the elongation cycle of the bacterial fatty acid biosynthesis (FAS-II) pathway, has been recognized as a promising target for the development of new drugs for TB. Here we present the discovery of a quinoline class of compounds as inhibitors of this enzyme using a combined approach of rational selectio...
Novel pyrrolyl-pyrazole derivatives (5a-k) were synthesized by reacting substituted chalcones (3a-k) and 4-pyrrol-1-yl benzoic acid hydrazide (4) in ethanol. Purity of newly synthesized compounds were confirmed by TLC and melting point. The structures of all newly synthesized compounds were confirmed by spectral study such as IR, H-1 NMR and Mass s...
Two series of 4-aryloxymethyl coumarins derived from the reaction of 4-bromomethyl coumarins with ethyl gallate and ethyl ester of N-Benzoyl tyrosine have been synthesized. Gallate ethers 3a-3g and tyrosine derivatives 4e-4j were most effective against Entercoccusfaecalis. They were also found to be effective against Aspergillusniger and Candidaalb...
Pyrrole is one of the main five membered heterocyclic systems reported for its various chemotherapeutic activities. Subsequently, pyrroles have been highlighted as the important biologically active scaffolds. This review focuses on the synthesis, reactions and pharmacological activity associated with pyrroles, and its derivatives. Microwave-assiste...
In the present investigation, a series of 4-(4-pyrrol-1-yl/2,5-dimethyl-4-pyrrol-1-yl) benzoic acid hydrazide analogs, some derived oxadiazoles and azines have been synthesized in good yields and structures of these compounds were established by IR, 1H NMR, 13C NMR, mass spectral and elemental analysis. The newly synthesized title compounds were ev...
In the present study we have focused our interest on the synthesis of benzo [b] furoindoles and benzo [b] furopyrazoles using 2-acetylbenzofuran 2 as a intermediate for the synthesis of benzofuran coupled with indole derivatives by its reaction with selected phenylhydrazine hydrochlorides 3(a-g). Hence the key precursor 2-acetylbenzofuran 2 is prep...
A series of 4-(2,5-dimethylpyrrol-1-yl)/4-pyrrol-1-yl benzoic acid hydrazide analogs, some derived triazoles, azetidinones, thiazolidinones, and pyrroles have been synthesized in good yields and structures of these compounds were established by IR, (1)H NMR, (13)C NMR, mass spectral, and elemental analysis. These compounds were evaluated for their...
Export Date: 4 April 2014, Source: Scopus, Article in Press
Export Date: 4 April 2014, Source: Scopus
A series of new 2-(substituted benzoylthiocarbamido)-5-(phenyl/sulphonamido)-1,3,4-thiadiazoles 4(a-g) and 5(a-g) were synthesized as potential antibacterial and antiviral compounds. 1,3,4-Thiadiazole compounds were prepared by the reaction of 2-amino-1,3,4-thiadiazoles with a solution containing ammonium thiocyanae and substituted benzoyl chloride...
Various 2-chloroquinoline-3-carbaldehyde-3-(6-p-anisyl-5-cyano-3-N-methyl- 3,4-dihydro pyrimidin-4-one-2-yl) hydrazones4(a-d) have been synthesized by condensation of 6-p-anisyl-5-cyano-2-hydrazino-3-N-methyl-3,4-dihydropyrimidine- 4-one with different 2-chloroquinoline-3-carbaldehydes. The hydrazones on cyclization with DMF/KOH furnished 1-(6-p-an...
