Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chloro-benzo-phenone oxime at 90 K.

The synthesis and crystal structure of a monoclinic polymorph of 2-amino-5-chloro-benzo-phenone oxime, CHClNO, are presented. The mol-ecular conformation results from twisting of the phenyl and 2-amino-5-chloro benzene rings attached to the oxime group, which subtend a dihedral angle of 80.53 (4)°.

Crystal structures of four organic salts of trihexyphenidyl at 90 K.

The syntheses and crystal structure studies of four organic salts of trihexyphenidyl, ., trihexyphenidylium [1-(3-cyclo-hexyl-3-hy-droxy-3-phenyl-prop-yl)piperidin-1-ium] 4-nitro-benzoate, CHNO·CHNO (), trihexyphenidylium 4-hy-droxy-benzoate, CHNO·CHO (), trihexyphenidylium 4-bromo-benzoate, CHNO·CHBrO (), and trihexyphenidylium thio-phene-2-carboxyl-ate hemihydrate, 2CHNO·2CHOS·HO (), con-ducted at 90 K are described. Structures , , and are solvent free with one cation-anion pair per asymmetric unit, while crystallizes as a hemihydrate, having two cation-anion pairs and one water of crystallization in its asymmetric unit.

The strict regulation of HIF-1α by non-coding RNAs: new insight towards proliferation, metastasis, and therapeutic resistance strategies.

The hypoxic environment is prominently witnessed in most solid tumors and is associated with the promotion of cell proliferation, epithelial-mesenchymal transition (EMT), angiogenesis, metabolic reprogramming, therapeutic resistance, and metastasis of tumor cells. All the effects are mediated by the expression of a transcription factor hypoxia-inducible factor-1α (HIF-1α). HIF-1α transcriptionally modulates the expression of genes responsible for all the aforementioned functions.

Discovery of Hybrid Thiouracil-Coumarin Conjugates as Potential Novel Anti-SARS-CoV-2 Agents Targeting the Virus's Polymerase "RdRp" as a Confirmed Interacting Biomolecule.

The coronavirus (COVID-19) pandemic, along with its various strains, has emerged as a global health crisis that has severely affected humankind and posed a great challenge to the public health system of affected countries. The replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) mainly depends on RNA-dependent RNA polymerase (RdRp), a key enzyme that is involved in RNA synthesis. In this regard, we designed, synthesized, and characterized hybrid thiouracil and coumarin conjugates (HTCAs) by ether linkage, which were found to have anti-SARS-CoV-2 properties.

Nickel vanadate nitrogen-doped carbon nanocomposites for high-performance supercapacitor electrode.

A nickel-vanadium-based bimetallic precursor was produced using the polymerization process by urea-formaldehyde copolymers. The precursor was then calcined at 800 °C in an argon ambiance to form a NiVO-NC magnetic nanocomposite. Powerful techniques were used to study the physical characteristics and chemical composition of the fabricated NiVO-NC electrode.

Regioselective Synthesis of 2,5-Disubstituted-1,3,4-thiadiazoles and 1,3,4-Oxadiazoles via Alkyl 2-(Methylthio)-2-thioxoacetates and Alkyl 2-Amino-2-thioxoacetates.

An acid-catalyzed regioselective cyclization reaction of 2,5-disubstituted-1,3,4-thiadiazoles and 1,3,4-oxadiazoles has been developed. The synthetic precursors alkyl 2-(methylthio)-2-thioxoacetates/alkyl 2-amino-2-thioxoacetates react efficiently with acyl hydrazides, which transformed into a series of dehydrative and desulfurative products with employment of -TSA and AcOH through a regioselective cyclization process. The alkyl 2-amino-2-thioxoacetate pathway generates excellent yield among the mentioned procedures.

Computational analysis for eccentric neighborhood Zagreb indices and their significance.

In this paper, a novel eccentric neighborhood degree-based topological indices, termed eccentric neighborhood Zagreb indices, have been conceptualized and its discriminating power investigated with regard to the predictability of the boiling point of the chemical substances. The discriminating power of the eccentric neighborhood Zagreb indices was compared with that of Wiener and eccentric connectivity indices. Some explicit results for those new indices for some graphs and graph operations such as join, disjunction, composition, and symmetric difference.

A Review of Machine Learning Techniques for the Classification and Detection of Breast Cancer from Medical Images.

Cancer is an incurable disease based on unregulated cell division. Breast cancer is the most prevalent cancer in women worldwide, and early detection can lower death rates. Medical images can be used to find important information for locating and diagnosing breast cancer.

Insights into diversity and L-asparaginase activity of fungal endophytes associated with medicinal plant Grewia hirsuta.

L-asparaginase is used as one of the prime chemotherapeutic agents to treat acute lymphoblastic leukemia. The present work aimed to study the endophytic fungal diversity of Grewia hirsuta and their ability to produce L-asparaginase. A total of 1575 culturable fungal endophytes belonging to four classes, Agaricomycetes, Dothideomycetes, Eurotiomycetes, and Sordariomycetes, were isolated.

Novel Synthetic Indazoles Abrogate Angiogenesis in Erlich Ascites Tumor Bearing Mice.

Background: Indazoles are known for their anti-cancer properties.

Objective: The current investigation was on the synthesis and evaluation of novel indazole derivatives for their anticancer properties.

Methods: A series of novel indazoles were synthesized and characterized by IR, NMR and LCMS.

Endophytic Fungi as a Promising Source of Anticancer L-Asparaginase: A Review.

L-asparaginase is a tetrameric enzyme from the amidohydrolases family, that catalyzes the breakdown of L-asparagine into L-aspartic acid and ammonia. Since its discovery as an anticancer drug, it is used as one of the prime chemotherapeutic agents to treat acute lymphoblastic leukemia. Apart from its use in the biopharmaceutical industry, it is also used to reduce the formation of a carcinogenic substance called acrylamide in fried, baked, and roasted foods.

Electrochemical Synthesis of New Isoxazoles and Triazoles Tethered with Thiouracil Base as Inhibitors of Histone Deacetylases in Human Breast Cancer Cells.

Histone deacetylases (HDACs) are an attractive drug target for the treatment of human breast cancer (BC), and therefore, HDAC inhibitors (HDACis) are being used in preclinical and clinical studies. The need to understand the scope of the mode of action of HDACis, as well as the report of the co-crystal structure of HDAC6/SS-208 at the catalytic site, provoked us to develop an isoxazole-based lead structure called 4-(2-(((1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)thio) pyrimidin-4-yl) morpholine () and 1-(2-(((3-(p-tolyl) isoxazol-5-yl)methyl)thio) pyrimidin-4-yl) piperidin-4-one () that targets HDACs in human BC cells. We found that the compound or could inhibit the proliferation of BC cells with an IC value of 8.

Response surface methodology based optimized production, purification, and characterization of L-asparaginase from Fusarium foetens.

L-asparaginase is used as one of the prime chemotherapeutic agents to treat acute lymphoblastic leukemia. L-asparaginase obtained from bacteria exhibits hypersensitive reactions including various side effects. The present work aimed to optimize growth parameters for maximum production of L-asparaginase by Fusarium foetens through response surface methodology, its purification, and characterization.

Ashwagandha- Withania somnifera (L.) Dunal as a multipotent neuroprotective remedy for genetically induced motor dysfunction and cellular toxicity in human neurodegenerative disease models of Drosophila.

Ethnopharmacological Relevance: Ashwagandha-Withania somnifera (L.) Dunal, well known for its multipotent therapeutic properties has been used in Ayurveda for 3000 years. The plant with more than 50 active phytoconstituents is recognised for its anti-cancerous, anti-diabetic, anti-inflammatory, anti-microbial, and neurotherapeutic properties demonstrated in in vitro studies and chemically induced rodent models.

Microwave hydrothermal preparation of reduced graphene oxide-induced p-AgO/n-MoO heterostructures for enhanced photocatalytic activity through S-scheme mechanism and its electronic performance.

Through a powerful and modest closed system Microwave hydrothermal process, a methodological analysis is made in the rational synthesis of the reduced graphene oxide-induced p-AgO/n-MoO (RGAM) heterostructures. These have strong p-n junction heterostructures with considerable electron-hole recombination functioning as solar catalysts. The enhanced photocatalytic activity through the plasmonic step scheme (S-scheme mechanism) describes the effective charge recombination process.

Structural, computational and studies of 4-bromo-3-flurobenzonitrile as anti-Alzheimer and anti-Parkinson agents.

A novel dimer of the 4-bromo-3-fluorobenzonitrile was crystallized and studied using a spectroscopic method such as the scanning electron microscope method. The computational simulations substantiated the structural analysis findings. The Hirshfeld surface analysis has been performed for visualizing, exploring and quantifying the intra and inter-molecular interactions that stabilize the crystal packing of the compound.

Investigation of miscibiliy and physicochemical properties of synthetic polypeptide with collagen blends and their wound healing characteristics.

A suitable condition is needed to foster a rapid recovery of wounds, which is a dynamic and intricate process. The development and characterization of mats of plastic-like peptide polymer (PLP) with collagen for wound healing applications are reported in this work. Viscosity parameters such as the Huggins coefficient [K], the intrinsic viscosity [η], α by Sun, ∆[η] by Garcia ∆B and μ suggested by Chee, ∆K, and β advocated by Jiang and Han, recommend the miscibility of the polypeptide in solution phase.

Antifungal activity of probiotic strain MYSN7 against .

The primary objective of this study was to assess the probiotic attributes and antifungal activity of lactic acid bacteria (LAB) against the fungus, . Among the 20 isolates screened for their antifungal attributes, isolate MYSN7 showed strong antifungal activity and was selected for further analysis. The isolate MYSN7 exhibited potential probiotic characteristics, having 75 and 70% survival percentages in pH3 and pH2, respectively, 68.

Methyl-Thiol-Bridged Oxadiazole and Triazole Heterocycles as Inhibitors of NF-κB in Chronic Myelogenous Leukemia Cells.

Nuclear factor kappa beta (NF-κB) is a transcriptional factor that plays a crucial role in regulating cancer cell proliferation. Therefore, the inhibition of NF-κB activity by small molecules may be beneficial in cancer therapy. In this report, methyl-thiol-bridged oxadiazole and triazole heterocycles were synthesized via click chemistry and it was observed that the lead structure, 2-(((1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)thio)-5-(4-methoxybenzyl)-1,3,4-oxadiazole (), reduced the viability of MCF-7 cells with an IC value of 7.

Genistein: a promising modulator of apoptosis and survival signaling in cancer.

Genistein, a commonly occurring isoflavone, has recently gained popularity owing to its ever-expanding spectrum of pharmacological benefits. In addition to health benefits such as improved bone health and reduced postmenopausal complications owing to its phytoestrogen properties, it has been widely evaluated for its anti-cancer potential. Several studies have established the potential for its usage in the management of breast, lung, and prostate cancers, and its usage has significantly evolved from early applications in traditional systems of medicine.

CXCR4 expression is elevated in TNBC patient derived samples and Z-guggulsterone abrogates tumor progression by targeting CXCL12/CXCR4 signaling axis in preclinical breast cancer model.

Environmental factors such as exposure to ionizing radiations, certain environmental pollutants, and toxic chemicals are considered as risk factors in the development of breast cancer. Triple-negative breast cancer (TNBC) is a molecular variant of breast cancer that lacks therapeutic targets such as progesterone receptor, estrogen receptor, and human epidermal growth factor receptor-2 which makes the targeted therapy ineffective in TNBC patients. Therefore, identification of new therapeutic targets for the treatment of TNBC and the discovery of new therapeutic agents is the need of the hour.

Synthesis and crystal structure studies of 5-(tri-fluoro-meth-yl)-1,3,4-thia-diazol-2(3)-one at 180 K.

The synthesis and crystal structure of CHFNOS, systematic name 5-(tri-fluoro-meth-yl)-1,3,4-thia-diazol-2(3)-one (5-TMD-2-one), a compound containing the pharmacologically important heterocycle 1,3,4-thia-diazole, is presented. The asymmetric unit comprises six independent mol-ecules (' = 6), all of which are planar. The r.

Withaferin A: A Pleiotropic Anticancer Agent from the Indian Medicinal Plant (L.) Dunal.

Cancer represents the second most deadly disease and one of the most important public health concerns worldwide. Surgery, chemotherapy, radiation therapy, and immune therapy are the major types of treatment strategies that have been implemented in cancer treatment. Unfortunately, these treatment options suffer from major limitations, such as drug-resistance and adverse effects, which may eventually result in disease recurrence.