https://pubs.thesciencein.org/journal/index.php/cbl/issue/feed Chemical Biology Letters 2022-12-15T03:53:17+00:00 Editorial, Chem Biol Lett cbl@thesciencein.org Open Journal Systems <p>Chemical Biology Letters is a peer reviewed journal for publication of research and review articles from Medicinal Chemistry, BioChemistry, Chemical Biology, Drug Development and Drug Delivery related studies.</p> https://pubs.thesciencein.org/journal/index.php/cbl/article/view/538 Role of Acetylcholinesterase (AChE) reactivators in the treatment of Organophosphorus poisoning: in vivo, in vitro, and in silico studies 2022-12-10T14:37:19+00:00 Ratandeep ratandeep101299@gmail.com Ayushi ayushivc212@gmail.com Garima garimanain007@gmail.com Laishram Saya Devi saya.thoi@gmail.com Pooja pooja.chem123@gmail.com <p>Chemical warfare agents, especially organophosphorus (OP) compounds, are known for their extreme toxicity causing inhibition of acetylcholinesterase (AChE) enzyme activity due to covalent phosphorylation. This leads to functional impairment of muscarinic nicotinic acetylcholine receptors, resulting in severe ill effects that ultimately lead to death. For OP poisoning, AChE reactivators play a crucial role in the treatment process. Among several AChE reactivators, Oxime reactivators are majorly employed for the treatment of OP intoxication, nevertheless, these are associated with certain drawbacks such as their toxic effects, low blood-brain barrier (BBB) penetration, less reactivation in the central nervous system (CNS), and inefficiency toward all nerve agents, and blocked AChE. As a result, new therapeutic strategies are required. Recent attempts are focused on the design and synthesis of uncharged oximes or non-oxime reactivators which can overcome the limitations of oxime-based reactivators. A novel class of non-oxime reactivators is gaining interest, including compounds like Mannich phenols, chloroquines, and some general bases. This review is a novel attempt to incorporate various possible oxime and non-oxime AChE reactivators for OP intoxication along with their in vitro, in vivo, and in silico studies.</p> <p><em>URN:NBN:sciencein.cbl.202<strong>3</strong>.v<strong>10</strong>.<strong>538</strong></em></p> 2023-01-27T00:00:00+00:00 Copyright (c) 2023 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/534 In-vitro evaluation of synergism in antioxidant efficiency of Quercetin and Resveratrol 2022-12-07T18:36:38+00:00 Nivetha Murugesan nivethamphd2021@gmail.com Chandraprabha Damodaran chandrabio@srcw.ac.in Selvakumar Krishnamoorthy selvakrishnamoorthy@gmail.com Madhan Raja madhan.biolim@gmail.com <p>Plants serve as an excellent source of therapeutic molecules that help in medicinal treatments. The production of large amounts of pure phytocompounds from plant sources for human consumption and the nature of phytocompounds exhibiting toxicity issues at higher dosages lead to the challenge of increasing the therapeutic effect by using low dosages. This current study focuses on extracting two active antioxidant compounds, quercetin (Q) and resveratrol (R), from plant sources and evaluating their ability to exhibit antioxidant synergism through <em>in vitro</em> models. Quercetin and resveratrol were extracted using an ethanol-solvent extraction procedure from <em>Allium cepa, and Vitis vinifera</em> peels, respectively. The extracts were subjected to qualitative and quantitative analysis, column chromatography and then High-Performance Liquid chromatography for purification. DPPH, ABTS<sup>+</sup>, SOS, and cellular antioxidant assays evaluated the synergistic antioxidant activity of the quercetin and resveratrol complex. The results showed synergistic antioxidant efficacy values approximately as follows: 5.37 % in DPPH, 15.26 % in ABTS+, 11.99 % in SOS, and 19.13 % in cellular antioxidant assays when both molecules were used combinedly. The results promisingly pave the way for a new dimension in nutraceuticals formulation parameters which could trigger combined molecular usage to achieve better results at low dosages.</p> <p><em>URN:NBN:sciencein.cbl.2023.v10.534</em></p> 2023-01-20T00:00:00+00:00 Copyright (c) 2023 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/532 Deciphering the role of c-MET in Metabolic reprogramming of Head and Neck squamous cell Carcinoma via In Silico analysis 2022-12-15T03:53:17+00:00 Sibi Raj sibiraj.1049@gmail.com Brijesh Rathi brijeshrathi@hrc.du.ac.in Pravesh Mehra csrmehra@gmail.com Shailendra Asthana sasthana@thsti.res.in Dhruv Kumar dhruvbhu@gmail.com <p>Targeting of epidermal growth factor receptors (EGFRs) and vascular endothelial growth factor receptors (VEGFRs) has become a major strategy for the control of head and neck cancer. c-MET, a receptor tyrosine kinase is known to be expressed in many cancers including the head and neck squamous cell carcinoma (HNSCC). The c-MET activity has been correlated with many signaling pathways that help the cancer cells to proliferate, migrate and invade into the normal, healthy tissues. The association of c-MET with glycolytic pathway in HNSCC has not been elucidated yet. Since, increased glycolysis has emerged as a major hallmark for cancer cell proliferation, targeting c-MET could bring an impact to inhibit HNSCC progression. In the present study we use various In-silico tools available to identify the association of c-MET with the major metabolic genes such as HK-II (Hexokinase-II), GLUT-1 (Glucose transporter-I), LDH-A (Lactate dehydrogenase-A), PFK-II (Phosphofructokinase-II) and MCT-1 (Monocarboxylate transferase-1) in HNSCC patient datasets available from The Cancer Genome Atlas (TCGA). Protein networking analysis was used to determine the correlation of c-MET with the metabolic genes. Retrieved sequenced data pathway analysis gives the network of genes associated in the activation of glycolytic pathway. Gene ontology and Enrichr studies provide an insight into c-MET activity in metabolism through molecular, functional and pathway basis in HNSCC. Furthermore, we also have shown a negative correlation of c-MET with immune cell infiltration, suggesting c-MET might have a role in immune suppression in HNSCC patients. Further validation on this study could possibly make c-MET as a potential target to inhibit HNSCC.</p> <p><em>URN:NBN:sciencein.cbl.2023.v10.532</em></p> 2023-01-20T00:00:00+00:00 Copyright (c) 2023 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/531 Regioselective synthesis of indole-thiazolidine-2,4-dione coupled isoxazoles as in vitro tubulin polymerization inhibitors 2022-12-04T02:24:49+00:00 Sunitha Boda bodasunithahnk@gmail.com Ravinder Manchal visitravi76@gmail.com <p>Herein we synthesized new indole-thiazolidine-2,4-dione coupled isoxazoles (7a-n) via simple reactions like N-propargylation, Knoevenagel condensation and copper (I) catalysed one pot regioselective reactions. All the newly synthesized compounds were characterized by 1H-NMR, 13C-NMR and Mass spectra and they were screened for <em>in vitro</em> anticancer activity against three human cancer cell lines like A549 (lung), MCF-7 (breast), and SKOV3 (ovarian) using MTT assay and etoposide was used as the standard drug. As per the results the compounds <strong>7e</strong>, <strong>7f</strong> and <strong>7g</strong> where shown selectivity towards A549 cell line with IC<sub>50</sub> values of 5.27 µM, 3.14 µM and 6.25 µM respectively and they are high active than etoposide. Further <em>in vitro</em> tubulin polymerization assay on three potent compounds (<strong>7e</strong>, <strong>7f</strong> and <strong>7g</strong>) revealed that compounds 7e and 7f have exhibited potency than standard combretastatin A-4 with IC<sub>50</sub> values 0.82 and .044 mM respectively.</p> <p><em>URN:NBN:sciencein.cbl.2023.v<strong>10</strong>.<strong>531</strong></em></p> 2023-01-02T00:00:00+00:00 Copyright (c) 2023 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/509 In Silico Docking Studies of Yucca gloriosa L. Phytoconstituents with TNF-α, IL-6 and IL-13 Receptor Against Asthma 2022-11-19T15:06:12+00:00 Saurabh Gupta saurabhgupta80@gmail.com Ajmer Singh Grewal ajmergrewal2007@gmail.com Geeta Deswal deswalgeeta@gmail.com Sachin Singh sachinsingh23@gmail.com Sukrati Vishwas sukritivns92@gmail.com Vishnu Badavath vishnu.niper@gmail.com Kamal Dua kamal.dua@uts.edu.au Priyanka Thakur priyanka123thakur123@gmail.com Thakur Gurjeet Singh gurjeetthakur@gmail.com <p><em>Yucca gloriosa</em> L. has been comprehensively assessed <em>in vitro</em> and <em>in vivo</em> for its action against asthma. <em>Y. gloriosa</em> L. is a rich source of phenolic compounds such as gloriosaols A-E and yuccaols A-E, which exhibit potent antioxidant activity. Gloriosaols A-E and yuccaols A-E are structurally related to corticosteroids. The current study describes the <em>in silico</em> docking of some important anti-asthmatic phytoconstituents from the plant <em>Y. gloriosa</em> L. with molecular targets of asthma. Toward the recognition of the binding methods of these pharmacologically dynamic components, molecular modelling studies were carried out with target proteins, i.e., interleukin (IL)-6 (1N26), IL-13 (3LB6) and TNF-α (2AZ5), using <em>in silico</em> molecular docking. The components demonstrated encouraging binding interactions with the amino acid residues at the active sites of these proteins, authenticating their verified efficiency as anti-asthmatic agents. The current research, in addition, provides insight into the possible herbal drug-receptor interaction and synthetic drug montelukast sodium receptor interaction, for the possible management of asthma.</p> <p><em>URN:NBN:sciencein.cbl.2023.v10.<strong>509</strong></em></p> 2022-12-24T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/506 Synthesis, characterization and anticancer evaluation of new 1H-naphtho[2,3-d]imidazole-4,9-dione-1,2,4-oxadiazole hybrids 2022-11-19T15:01:22+00:00 Sasidhar Alluru sasidharalluri@gmail.com Sailaja BBV sailajabbv.chemistry@gmail.com Arani Pal aranipal@gmail.com <p>New series of 1<em>H</em>-naphtho[2,3-<em>d</em>]imidazole-4,9-dione-1,2,4 oxadiazoles (<strong>10a-10l</strong>) synthesized using NH<sub>2</sub>OH.HCl/Et<sub>3</sub>N and POCl<sub>3</sub>/DMF (Vilsmeier reagent) mediated one-pot reaction between 2-(4,9-dioxo-4,9-dihydro-1<em>H</em>-naphtho[2,3-<em>d</em>]imidazol-1-yl)acetonitrile and several aromatic carboxylic acids as key approach have been reported here. All synthesized compounds were screened for the <em>in vitro</em> cytotoxicity against three human cancer cell lines such as A549, PC3, and MCF-7. Three compounds (<strong>10d</strong>, <strong>10f</strong> and <strong>10k</strong>) exhibited superior activity than the standard etoposide against all the cell lines with IC<sub>50</sub> values &lt;2 μM. Finally, molecular docking studies revealed the important binding interactions of potent compounds <strong>10d</strong>, <strong>10f</strong> and <strong>10k </strong>with the α, β-tubulin (PDB ID-1SA0).</p> <p><em>URN:NBN:sciencein.cbl.2023.v10.506</em></p> 2023-01-11T00:00:00+00:00 Copyright (c) 2023 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/507 Nanoemulsion of Mentha piperita essential oil active against Mycobacterium strains 2022-11-19T14:31:09+00:00 Niharika Sinha sinha.niharika26@gmail.com Deeksha Sharma deeksha1244@gmail.com Md. Sajid Hussain mdsajidhusain@gmail.com Megha Nain naveenmegha2012@gmail.com Ruby Verma rbverma63@gmail.com Sameena Alam sameena_alam123@yahoo.co.in Rajesh Kumar Gupta mayraj1@rediffmail.com <p>Present investigation aimed to study the antimycobacterial potential of <em>Mentha piperita</em> essential oil fractions, identify its active constituents by GC-MS and preparation of nanoemulsion from biologically active fraction. Four oil fractions (R1, R2, R3, R4) were collected during hydrodistillation of <em>Mentha piperiata</em> leaves and tested in the two of mycobacterial strains by conventional disc diffusion method. Oil fractions R2 and R3 demonstrated maximum zone of inhibition of 39 mm and 36 mm in <em>Mycobacterium smegmatis</em>, 33 mm and 31 mm in <em>Mycobacterium bovis</em> BCG respectively at a dilution of 75% in DMSO compared to standard drug isoniazid (23 mm in 4 µg/ml). GC-MS analysis of the most active fraction R2 reveals the presence of menthol (70.69%), isomenthone (14.63%) and neomenthol (6.82%) as major constituents. To enhance bioavailability of oil fraction, the nanoemulsions were prepared from R2 by sonication method. Nanoemulsions, N1 and N2 prepared by varying surfactant concentrations were tested in <em>Mycobacterium bovis</em> BCG using quantitative and colorimetric resazurin microtiter assay (REMA). Nanoemulsions, N1 and N2 have shown 97-100 % bacterial growth inhibition at 3.125 % concentration in the culture medium compared with the culture control.</p> <p><em>URN:NBN:sciencein.cbl.2023.v10.507</em></p> 2022-12-26T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/486 Development and validation of Hand-held device for the rapid detection of Metformin in biological samples: A forensic application 2022-11-02T07:52:08+00:00 Priyanka Verma priyankaverma421@gmail.com Nitesh Kumar nkumar10@amity.edu Suman Nagpal suman.evs@igu.ac.in <p>Metformin is a widely used anti-diabetic drug that enhances glycaemic control by advancing the insulin sensitivity abatement of intestinal glucose absorption. Due to its versatility, it is also emerging as an abused drug leading to toxicity and fatal conditions. Detection of metformin with the existing qualitative and quantitative approaches necessitate complex and intricate instrumentation, fully facilitated laboratories, and trained scientist and technicians. Henceforth, in the current study, we have developed a hand-held electronic device-based detection system for metformin using the basic principles of spectrophotometry. It is based on the formation of a yellowish-green color complex (wavelength 680nm) which involves the oxidative coupling of 3-methyl 2-benzothiozoline hydrazone (MBTH) catalyzed by iron. The method developed has been optimized at different pH, reaction temperature, and reaction time and found to be specific, sensitive, and linear in the range of concentration 100-1000 µg/ml with the limit of detection (LOD) of 120.5 µg/ml.</p> <p><em>URN:NBN:sciencein.cbl.2023.v10.<strong>486</strong></em></p> 2022-12-20T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/451 Global Cancer Statistics 2022: the trends projection analysis 2022-10-02T01:09:53+00:00 Bhupender S. Chhikara drbs@aditi.du.ac.in Keykavous Parang parang@chapman.edu <p class="05Abstracttext"><span lang="EN-US">Cancer is one of the most fatal diseases of recent times that causes several deaths every year. The disease variations in different parts of the world, the impact of available medical facilities, and other socio-economic factors have impacted the proper management of this disease. The comparative statistical data of cancer types like breast, prostate, colon, lung, lymph, blood, brain, and kidney cancers can be used to design treatment strategies and therapeutics development. With the advancement of science, several drugs besides diagnostic methods have emerged to control respective cancer and have assisted in curing this disease to some extent. The comparative statistics analysis for cancer about current prevalence is included here to bring a clear framework for the efforts towards future drug development to manage this disease. The availability of new diagnostics and therapeutics and advanced medical facilities in clinics impact cancer statistics. An evaluation of current trends and statistics of cancer pathology vis-à-vis theranostics (diagnostics as well as therapeutics) progress with possible application in clinical settings constitutes the core part of the discussion in this review.</span></p> <p class="05Abstracttext"><span lang="EN-US"><em>URN:NBN:sciencein.cbl.2023.v10.451</em></span></p> 2022-11-02T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/425 Synthesis of new regioselective imidazole-isoxazole hybrids as in vitro antibacterial agents 2022-09-18T09:21:40+00:00 Sudheer Reddy V sudheer7160@gmail.com Rajashekar Reddy N nrajashekarreddy@gmail.com Venkatram Reddy A avreddyalugubelly@yahoo.co.in Padma M mpadma.aueng@gmail.com Krishnakanth Reddy Lelelti vootukoori21@gmail.com <p>The one-pot synthesis of some novel imidazole-isoxazole hybrids<strong> (5a-5n)</strong> and their <em>in vitro</em> antibacterial evaluation against <em>Bacillus </em>subtilis and<em> Staphylococcus aureus </em>was described herein. Among all, compounds <strong>5f</strong>, <strong>5g, 5i </strong>and <strong>5j </strong>displayed greater zone of inhibition on <em>Staphylococcus aureus</em> than the standard streptomycin. Besides, compounds <strong>5f, 5g, 5h, 5i, 5j </strong>and<strong> 5k</strong> displayed higher zone of inhibition towards <em>Bacillus subtilis</em> than the standard. Lastly, minimum inhibitory concentration (MIC) studies of active compounds <strong>5f</strong>, <strong>5g</strong>, <strong>5h</strong>, <strong>5i</strong>, <strong>5j</strong> and <strong>5k </strong>showed that the compounds<strong> 5i </strong>and<strong> 5j</strong> having lesser MIC values on <em>Staphylococcus aureus </em>and<em> Bacillus subtilis </em>than the standard.</p> <p><em>URN:NBN:sciencein.cbl.2022.v9.425</em></p> 2022-10-14T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/407 Metal based bio-active 1,2,4 triazole derivatives: Preparation, spectral, thermal and antimicrobial studies 2022-08-24T15:40:43+00:00 Kiran Singh knsingh@kuk.ac.in Preeti Siwach pikuchem2017@gmail.com <p>We report the synthesis and characterization of a series of metal complexes of bivalent Cobalt, Nickel, Copper, Zinc and Palladium with novel Schiff base ligand 4-((4-isopropoxybenzylidene)amino)-5-propyl-4H-3-thiol-1,2,4-triazole (IBPT). The ligand (IBPT) was derived by the condensation reaction of 4-isopropoxybenzaldehyde and 4-amino-5-propyl-3-thiol-1,2,4-triazole and characterised by IR and proton(<sup>1</sup>H) NMR spectroscopic techniques. The complexes have been investigated using characterised Fourier transform infrared (FT-IR), nuclear magnetic resonance (NMR), electron spin resonance (ESR), UV−visible and fluorescence spectroscopies. Based on the comparative analysis of IR and NMR data of ligand and metal complexes, it has been suggested that the ligand chelates with metal ions in a bidentate fashion <em>via</em> N (azomethine) and S (thiol) atoms. Elemental analysis, molar conductance, magnetic moments and redox behaviour of complexes have also been studied. In addition, Tauc's formula has been employed to determine the optical bandgap of complexes using the electronic spectral data. Thermogravimetric analysis revealed the number of coordinated water molecules and thermal stability of metal complexes. Various thermodynamic and kinetic parameters have been evaluated with the help of thermal data using Coats- Redfern method. The octahedral environment of divalent Cobalt, Nickel and Zinc complexes while square planner structure of Copper and Palladium complexes was elucidated with the help of spectroscopic data. Moreover, in-vitro antimicrobial activities of Schiff base ligand and its complexes were estimated against four pathogenic bacterial (two Gram Positive, two Gram negative) and three fungal strains (<em>C. Albicans, A. Niger and A. Clavatus</em>). The biological outcomes ensure the convenient utility of these novel complex as antimicrobial agents.</p> <p><em>URN:NBN:sciencein.cbl.2022.v9.<strong>407</strong></em></p> 2022-09-22T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/408 Exploring biomarkers associated with secondary inflammation following intracerebral hemorrhage using adult Zebrafish model 2022-08-26T04:04:13+00:00 Madhan Kumar Srinivasan madhankumar578@gmail.com Lalitha Vaidyanathan lalithav@sriramachandra.edu.in <p>Intracerebral haemorrhage is the condition of bleeding inside the brain, either spontaneous or traumatic. Though this form of stroke accounts to only about 15% of the cases, the mortality rate is the highest. People with stroke associated with ICH very rarely regain functional independence. The post-stroke complications are due to the extending loss of vascular integrity leading to prolonged secondary inflammation. Early detection of biomarkers associated with the condition and the efficacy of these biomarkers to depict the prognostic rate become essential tools for the clinicians to handle patients with ICH. Development of <em>in vivo</em> models that can simulate the intricate pathophysiology of the condition can add up new biomarkers that serve diagnostic and prognostic purposes.</p> <p><em>URN:NBN:sciencein.cbl.2022.v9.408</em></p> 2022-09-22T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/405 Design and synthesis of new Nilutamide-1,2,3-triazole derivatives as in vitro Anticancer agents 2022-08-22T06:33:48+00:00 Malla Reddy Nallapu mallareddyscholar@gmail.com Rajender Vadluri rajenderbio@gmail.com Jeyanthi Arasan jayanthi.arasan@gmail.com <p>The synthesis of novel 1,2,3-triazoles of Nilutamide (4a–4n) <em>via</em> Cu(I)-promoted 1,3-dipolar cycloaddition reaction between several terminal alkynes and 1-(3-azidopropyl)-5,5-dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)imidazolidine-2,4-dione have been reported herein. <em>In vitro</em> anticancer activity studies of these synthesized compounds over two human prostate cell lines PC3 and DU-145 revealed that the compounds 4c, 4f and 4n exhibit slightly greater activity against two cell lines than the standard etoposide. Predominantly, the compound 4f displayed excellent activity over PC3 and DU-145 having IC<sub>50</sub> values of 1.84and 1.34 μM respectively. The three most potent compounds 4c, 4f and 4n were also investigated for their inhibitory potential against tyrosine kinase EGFR and found that compound 4f showed superior activity than the standard <em>erlotinib</em>, while remaining two compounds 4c and 4n showed comparable activity with the standard.</p> <p><em>URN:NBN:sciencein.cbl.2022.v9.405</em></p> 2022-09-14T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/400 Plant-derived bioactive compounds in Neuroblastoma therapeutics: Current outlook and future perspective 2022-08-17T10:57:28+00:00 Nidhi Goswami nddnidhi@dr.du.ac.in Pallavi Sethi pallavi@dr.du.ac.in Amar Jyoti amarjyoti@dr.du.ac.in Garima Nagar gnagar@db.du.ac.in Shradheya R.R. Gupta srrgupta@db.du.ac.in Archana Singh archanasingh@hrc.du.ac.in Indrakant K. Singh iksingh@db.du.ac.in <p>Across the globe, neuroblastoma is responsible for around 15% of child deaths. The cell signaling alterations associated with the disease often result in redundancy and tumor relapse. A plethora of chemotherapeutics, which are already available in the market, are repurposed to treat it. However, they show limited to no efficacy, giving less relief to patients. Systemic toxicities associated with drugs are often linked with comorbidities and result in their discontinuation in clinical settings. Phytochemicals, on the other hand, have come up as an alternative, with the benefits of chemopreventives and fewer side effects. Many preclinical studies using plant-derived compounds have reported molecular targets that suppress neuroblastoma growth with less toxicity. The efficacy of phytochemicals in human trials has led to their approval in clinics. India, being a rich source of biodiversity, inhabits around 11.4% of the floral population of the world. The biologically active compounds extracted from the plants grown in the Indian subcontinent have exhibited high medicinal properties since time immemorial. Our work provides insight into potential phytochemicals, obtained from Indian plants, that can be used to target molecular alterations in neuroblastoma. Besides, Measures to overcome the side effects and low bioavailability of these phytochemicals have also been discussed here.</p> <p><em>URN:NBN:sciencein.cbl.2022.v9.<strong>400</strong></em></p> 2022-09-25T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing https://pubs.thesciencein.org/journal/index.php/cbl/article/view/396 Design, synthesis and molecular docking studies of new Quinoxaline-linked-1,2,4-triazole-Sulfonamide hybrids as Anti-proliferative agents 2022-07-27T14:42:42+00:00 Malla Reddy Nallapu mallareddyscholar@gmail.com Rajender Vadluri rajenderbio@gmail.com Jeyanthi Arasan jayanthi.arasan@gmail.com <p>A new series of quinoxaline linked 1,2,4-triazole sulfonamide&nbsp; derivatives were designed and efficiently synthesized. All compounds were characterized by their IR, <sup>1</sup>HNMR, <sup>13</sup>CNMR, and Mass spectral data, and elemental analysis. The final compounds (<strong>5a-m) </strong>were screened for <em>in vitro </em>anti-proliferative activity against cancer cell lines HeLa (lung), A549 (carcinoma), MCF-7 (breast) and HCT116 (colon).The&nbsp; results revealed that the compounds <strong>5k, 5l </strong>and <strong>5d </strong>have shown promising activity as compared to etoposide. Predominantly, the compound <strong>5k</strong> displayed greater activity on HeLa, A549, MCF-7and HCT116 with IC<sub>50</sub> values of 1.97±0.09, 1.84±0.07, 3.10±0.04and 4.10±0.07 than the standard drug etoposide. Moreover, molecular docking studies of <strong>5k, 5l</strong> and <strong>5d</strong> on EGFR receptor suggested that the most potent compound <strong>5k </strong>strongly binds to protein EGFR (pdbid: 4HJO). Furthermore, the compounds <strong>5k</strong> and <strong>5l</strong> displayed promising inhibitory activity over tyrosine kinase EGFR when compared with the standard erlotinib.</p> 2022-07-25T00:00:00+00:00 Copyright (c) 2022 ScienceIn Publishing