Benzylidene Aniline Research Articles

Synthesis of Indolines via Base-Mediated C-H Activation and Defluorinative C-N Coupling, with no Need for Transition-Metals.

Syntheses of (partially) aromatic nitrogen heterocycles increasingly rely on transition-metal catalyzed C-C- and C-N-cross-coupling reactions. Here we describe a different approach to the synthesis of indolines by a domino C(sp3)-H activation, 1,2-addition, and defluorinative SNAr-cyclization sequence to provide the target 1,2-diarylindolines (1,2-diaryl-2,3-dihydroindoles) from ortho-fluorinated methyl-arenes and N-aryl imines (benzylidene anilines) in a cyclocondensation that is mediated by potassium hexamethyldisilazide (KHMDS) as base exclusively. This transition-metal-free process via C-H and C-F bond activation provides a one-step entry into a wide array of indoline scaffolds (43 examples, up to 96 % yield). This privileged substructure is common in natural products and pharmaceuticals alike, and cannot be accessed by traditional condensation reactions.

Physio-chemical and biological Characterizations of 4 Bromo – 4'Chloro Benzylidene Aniline μ-crystals for Engineering Utilities

4 Bromo—4’Chloro Benzylidene Aniline - as per suggestion it is named as 4B4CBA; Schiff based organic material has been synthesized and successfully grown by slow solvent evaporation technique. The orthorhombic crystal system of the grown crystal with space group Pccn is confirmed and cell parameters of the grown crystal of 4B4CBA is found by single crystal X-ray diffraction (XRD) analysis. The forming of the C-Cl and C-Br stretching vibrations at 719 cm−1 and 538 cm−1 in Fourier Transform Infra-Red (FTIR) study reveal the confirmation of 4B4CBA compound. The CHNSO analysis shows the presence of element in the 4B4CBA. The lower cutoff wavelength and wide optical absorption window of 4B4CBA exhibit the suitability of the present material for the projective opto-electronic applications. Nonlinear optical efficiency for different micro-crystalline of 4B4CBA is determined by second harmonic generation (SHG) experiment and is also compared with Potassium Dihydrogen Phosphate - KDP material. The electrical studies confirm that the 4B4CBA crystal possess low dielectric constant values at high frequency region. The experiment of photo-conductivity confirms the nature of the photo-conductivity of 4B4CBA crystal. The Scanning electron microscopy (SEM) analysis reveals the morphology of 4B4CBA crystal.

Microwave-Assisted Reactivity of a Fischer Alkynyl Carbene Complex with Benzylidene Anilines

The reaction between the Fischer carbene complex (CO)5Cr=C(OEt)CºCPh and various benzylidene anilines RCH=NR1 was promoted by microwave irradiation, generating stable cross-conjugated metallahexatrienes in 45-70 % yield. Compared to conventional heating, the present conditions provided shorter reaction times with moderate yields. The geometrical configuration and the most stable conformation for each of the Fischer carbene complexes and their oxidation products were established by NMR and DFT analysis. The reaction mechanism was explored by DFT calculations of the potential energy surface, suggesting a 1,4-addition/ring closure/electrocyclic opening cascade process. Resumen. Se reporta la reactividad entre el carbeno de Fischer (CO)5Cr=C(OEt)CºCPh y las bencilidén anilinas, RCH=NR1, empleando irradiación de microondas. Los resultados indican que el calentamiento por microondas generó metalohexatrienos cruzados estables en rendimientos de 45-70 %, mostrando además, que los nuevos complejos se obtienen en tiempos de reacción más cortos y rendimientos moderados en comparación con las condiciones de calentamiento convencional. La configuración geométrica y la conformación más estable para los complejos carbénicos de Fischer y de sus derivados oxidados fueron establecidos por medio de RMN y DFT. La exploración de la superficie de energía potencial por cálculos DFT mostró que el proceso consistió en una reacción en cascada incluyendo una secuencia de adición-1,4, cierre de anillo y apertura electrocíclica.

Synthesis, Characterization, Theoretical and Experimental Anticancer Evaluation of Novel Cocrystals of 5-Fluorouracil and Schiff Bases against SW480 Colorectal Carcinoma.

The chemotherapeutic agent known as 5-fluorouracil (5-FU) is an artificial fluoropyrimidine antimetabolite that has been widely used for its antineoplastic properties. Cocrystals of 5-fluorouracil (5-FU) with five different Schiff bases (benzylidene-urea (BU), benzylidene-aniline (BA), salicylidene-aniline (SA), salicylidene-phenylhydrazine (SPH), and para-hydroxy benzylideneaniline (HBA)) are reported in this study. The newly synthesized cocrystals were analyzed by FTIR and PXRD. In this study, we investigated the antitumor efficacy of 5-FU derivatives in SW480 colon cancer cells via MTT assay at varying dose concentrations. Molecular docking was performed to predict the binding mechanism of TS with various 5-FU complexes. FTIR revealed the presence of respective functional groups in the prepared cocrystals. The frequencies (v) of N-H (3220.24 cm-1) and carbonyl groups (1662.38 cm-1) in the spectrum of 5-FU shifted considerably in all derivative cocrystal new interactions. There was a noticeable transformation in the PXRD peak of 5-FU at 2θ = 28.37° in all derivatives. The novelty of the present study lies in the fact that 5-FU-BA showed an anticancer potential IC50 (6.4731) far higher than that of 5-FU (12.116), almost comparable to that of the reference drug doxorubicin (3.3159), against SW480 cancel cell lines, followed by 5-Fu-HBA (10.2174). The inhibition rates of 5-FU-BA and 5-FU-HBA were highest among the derivatives (99.85% and 99.37%, respectively) in comparison with doxorubicin (97.103%). The results revealed that the synthesized 5-FU cocrystals have promising antitumor efficacy compared with previously reported 5-FU and 5-FU. The activities of the cocrystals were rationalized by a molecular modeling approach to envisage binding modes with the target cancer protein.

One-pot synthesis of secondary amines from aldehydes and primary amines over trifunctional Au-TiO2 as a water adsorbent, acid catalyst and photocatalyst without the use of hydrogen gas

We succeeded in one-pot synthesis of N-phenylbenzylamine (PBA) from benzaldehyde (BAD) and aniline (AN) over titanium(IV) oxide having a gold (Au) cocatalyst (Au-TiO2) without the use of hydrogen gas. This process consists of two steps: 1) formation of benzylideneaniline (BAN) and water by condensation of AN and BAD, a step that is a thermal reaction and results in an equilibrium being reached, and 2) photocatalytic hydrogenation of BAN to PBA through a hydrogen transfer reaction from alcohol. Reactions under various conditions revealed that TiO2 showed bifunctionality in the condensation process as an acid catalyst and an adsorbent of water. Among the cocatalysts examined in this study, Au showed the highest performance for PBA production. Photoirradiation to the system in equilibrium containing Au-TiO2 produced PBA in a yield of about 92%. We found that TiO2 having a gold (Au) cocatalyst (Au-TiO2) works as a trifunctional catalytic material, i.e., an acid catalyst and water adsorbent for the first step and a photocatalyst for the second step. Expandability of this reaction system in production of halogen-substituted PBA and selection of alcohol was investigated.

Microwave Assisted Solvent Free Catalytic Amino-Carbonylation of Aryl Bromide by Using μ-Dichloro-bis(benzylidene aniline)palladium(II) Complex as Catalyst

Solvent-free aminocarbonylation (Heck carbonylation) of aryl halide, catalyzed by μ-dichloro-bis(benzylidene aniline)palladium(II) complex yields dimethyl benzamide and their substitutes, has several useful industrial applications. In present work, dimethylformamide (DMF) serves as an effective in situ supplier of dimethyl amine and carbon monoxide. Bromobenzene along with more electron-rich aryl bromide generally undergo these reactions very smoothly, but the yield of respective products is less. To increase the yields of aryl amide, it is needed to be add amines from the external sources to the reaction mixture. Imidazole and aniline were used as good reaction partners, or amines, in this experiment. For obtaining the best results, several reactions were conducted in the presence of base i.e. potassium tert-butoxide. Potassium tert-butoxide was responsible for the better decomposition of DMF and imidazole as an additive. The carbonylation reactions described here depend on the efficiency of in situ generation of carbon monoxide, which can be a suitable unconventional route to traditional carbonylation procedures for small-scale operation when a quick reaction time is sought where direct use of CO gas is not possible.

Size and morphology control of two-dimensional metal-organic frameworks through coordination modulation

Two-dimensional metal-organic frameworks (2D MOFs) have presented application potential in various fields, and their size and morphology are vital to their practical application. And coordination modulation has been proved as an effective strategy to adjust MOF structure to enhance its performance by modulating MOF crystal growth. Herein, a facile method is presented to control the size and morphology of 2D MOF, CuBDC (BDC is 1,4-benzenedicarboxylic), through coordination modulation. With increased modulator 4-n-butylbenzoic acid (NBA) addition, the morphological transformation from nanosheet to nanoflower then to sheet, and the size transformation from smaller nanosheet to larger sheet are achieved by the kinetic trapping of crystal growth at room temperature. Such kinetic trapping products show different size and morphology with intact crystal structure of original CuBDC and low NBA content. Among them, nanoflower products show higher catalytic efficiency and better stability for the catalytic synthesis of benzylidene aniline relative to other products and CuBDC.

BENZYLIDENE ANILINE AND BENZIMIDAZOLIUM FLUOROCHROMATE - SPECTRAL AND MICROBIAL CHARACTERIZATION

Benzylidene aniline is one of the important aromatic compounds for an additional stain which is used in various immuno assays. Benzimidazolium fluorochromate (BIFC) is one of the chromium (VI) compounds, which is used as a mild oxidising agent. This study aims to describe the synthesis and determination of antimicrobial activity of bezylidene aniline and BIFC. IR and UV spectral data were used to confirm the structure of compounds and antimicrobial activities were characterised by the nature of biological activities. Gram-positive and negative bacteria and also fungi were used for antimicrobial study by disc diffusion method.

Enhancing magnetic coupling through protonation of benzylideneaniline-bridged diradicals and comparison with stilbene- and azobenzene-based diradicals.

Taking nitroxide radicals as spin sources, we explore the intramolecular magnetic coupling interactions of the trans- and cis-forms of benzylideneaniline (BA)-bridged diradicals, in which the central -CH[double bond, length as m-dash]N- unit can undergo single protonation to convert to its protonated counterpart or vice versa. The calculated results for these two pairs of diradicals (protonated versus unprotonated trans and cis forms) verify that the signs of their magnetic coupling constants J do not change, but the magnitudes significantly increase after protonation. In the structure, the better conjugation of the protonated trans diradical and two reduced CCNC and CCCN torsion angles of the protonated cis one make for a more efficient spin transport, promoting the spin polarization, thus leading to larger spin couplings. In terms of mechanism, the proton-induced magnetic enhancement should be attributed to strong participation of the coupler BA through its lowest unoccupied molecular orbital (LUMO) with a lower energy level after protonation, and the small HOMO-LUMO (HOMO: highest occupied molecular orbital) gap of the coupler BA through protonation is crucial in explaining such remarkable spin-coupling enhancement. Furthermore, different linking modes of the radical groups to the couplers are also considered to confirm our conclusions. In addition, we also make a comparison of the magnetic coupling strengths among their isoelectronic analogues of BA-, AB- and stilbene-bridged nitroxide diradicals before or after protonation, and find a linear correlation among them. It should be noted that the magnetic behaviors of all these diradicals obey the spin alternation rule and singly occupied molecular orbital (SOMO) effect. This work provides helpful information for the rational design of promising magnetic molecular switches.

Substituent effects on the mesogenic benzylidenes of 4-methylaniline: Synthesis, characterization, DFT, NLO, photophysical, molecular docking, and antibacterial studies

Substituted benzylidene anilines forming donor-π-acceptor (D-π-A) molecular systems are the models of molecular mesogenic cores for NLO applications. The effect of the benzylidene substituents on the sensitivity of the electronic properties of the azomethine CN group in the substituted benzylidene anilines p-X-C6H4-CH = N-C6H4-p-Me is investigated by experimental and theoretical studies. Three benzylidene anilines are synthesized from p-toluidine and para substituted benzaldehydes and are characterized by FT-IR and NMR spectra. Density functional theory (DFT) calculations are employed to investigate the structural and electronic featural changes incurred by the benzylidene substituent from their optimized geometry, Mulliken values, and FMOs. Since this type of mesogenic cores exhibit enhanced nonlinear optical behavior, their molecular NLO properties are evaluated from the DFT calculations. The effect of the substituents on the photophysical characteristics of the molecules are studied from the experimental and theoretical absorption and emission spectra of the compounds. The biological activity of these Schiff bases is probed for their in vitro antibacterial activities and for their molecular binding dynamics with falcipian 2 and 3.

Chemical growth dynamics of 4-Methyl-4′-Hydroxy Benzylidene Aniline NLO single crystal structure and spectroscopic applications

An aromatic Schiff bases organic nonlinear optical single crystal of 4-methyl-4′-hydroxy benzylidene aniline (MHBA) was grown by slow evaporation solution growth technique and the solubility of MHBA in ethanol at increasing temperature was esteemed. The unit cell proportions were gained by both single crystal and powder X-ray diffraction analysis. The structural refinement of MHBA shows that it crystallizes in the orthorhombic system with space group Pbcn. The molecule chiefly consists of two non – planar benzene rings attached by carbon and nitrogen atoms. The various planes of reflection were identified from the powder X-ray diffraction study and the unit cell proportions were same for single crystal XRD. Functional assemblies were entrenched by using Fourier transform infrared and FT Raman analysis by the molecular vibrations in the MHBA crystal. The assignment of protons and carbons in the grown MHBA crystals were recognized from 1H and 13C Nuclear Magnetic Resonance Spectroscopy analyses. The UV- visible and fluorescence spectral evaluate were carried out and to find the optical transmission and emission range of MHBA. The second harmonic generation productivity of MHBA is about 1.04 times than that of a standard sample of potassium dihydrogen orthophosphate. The thermal constancy of the grown crystal was investigated by differential scanning calorimetric, thermo gravimetric and a differential thermal analysis which confirms the decomposition of the sample occurs at 120 °C. Mechanical stuff, the hardness number, yield strength and Young's modulus of the grown material were studied using Vickers micro hardness tester and the work hardening coefficient reveals that MHBA belongs to the family of soft materials. The dielectric measurements with frequency and temperatures were used to find the power dissipation of the grown MHBA crystals.

The Effect of Hydrogen Bonding and Azomethine Group Orientation on Liquid Crystal Properties in Benzylidene Aniline Compounds

This study examines the effects of substituents and hydrogen bonding, orientations of imine linkage on the behavior of benzylidene aniline compounds as liquid crystals (LC). Compounds 4-carboxy benzylidene-4-X-aniline (X = H, F, Cl, Br, CH 3 , OCH 3 ) 1a – 6a were synthesized by the reaction of aniline and its substituted derivatives with 4-formylbenzoic acid. Compounds 4-X-benzylidene-4-carboxy aniline (X = H, F, Cl, Br, CH 3 , OCH 3 ) 1b – 6b were synthesized by the reaction of benzaldehyde and its substituted derivatives with 4-aminobenzoic acid using absolute ethanol as the solvent. Synthesized compounds were characterized by FT IR and 1 H NMR spectroscopy, liquid crystal properties were investigated using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM) techniques. Based on the mesomorphic properties, it was proven that the compounds 2b – 4b are dimorphic exhibiting a smectic and nematic phase, compounds 5b , 6b are monomorphic exhibiting a nematic phase, while compounds 1a – 6a and 1b have not shown any mesophase. For compounds 1a – 6a hydrogen bonding and reversing imine linkage (in comparison with compounds 1b – 6b ) caused the absence of their mesomorphic properties.

Spectroscopic and thermal nonlinearity study of a Schiff base compound

Schiff base compound 2, 4 hydroxy-4- carboxy benzylidene aniline (C14H11NO4) was successfully synthesized by condensation reaction of 4-amino benzoic acid and 2, 4-hydroxy benzaldeyhyde. The functional groups have been confirmed via Fourier-transform infrared spectroscopy (FTIR) analysis. The Nuclear magnetic resonance (NMR) spectroscopy was used to identify the placement of protons in the obtained compound. UV–visible absorption spectrum was obtained at room temperature for the compound. Diffraction ring patterns were observed when the Schiff base compound was irradiated with a continuous wave laser beam of wavelength 473 nm. The type of the obtained patterns depends on the type of the laser beam wave front. Based on the number of rings the total change in the compound refractive index and the nonlinear refractive index were obtained. The experimental diffraction ring patterns were successfully simulated using the Fresnel-Kirchhoff diffraction theory with good qualitative and reasonable quantitative agreements between experimental and theoretical findings. Both the open and closed aperture Z-scans were performed to measure the nonlinear absorption coefficient and nonlinear refractive index of the Schiff base compound, respectively. The optical limiting behavior of the Schiff base compound was tested too.

Synthesis and Characterization of Tin (II) and Lead (II) Complexes with Benzylidene Aniline Ligand

The Schiff base (Benzylideneaniline molecule) and its complexes with Sn (II) and Pb (II) have been synthesized and characterized by various spectroscopic and electro-analytical techniques. The ligand, Benzylideneaniline has been synthesized by condensation reaction of benzaldehyde and aniline.The metal complexes were prepared by mixing of saturated solutions of metal salts and ligand in 1:2 ratios in methanol and Dimethylsulfoxide solvents, followed by their characterization using magnetic susceptibility, molar conductivity, chloride estimation and spectral studies. It was found that titled organic ligand acts as monodentate and in both complexes it is proposed to be interacted in metal to ligand 1: 2 ratio with the metals to form organotin(II) and organolead (II) complexes through the direct method. Overall experimental results show that a diamagnetic and square planar geometry of both complexes formed.

Synthesis, biological evaluations and computational studies of N-(3-(-2-(7-Chloroquinolin-2-yl)vinyl) benzylidene)anilines as fungal biofilm inhibitors

In the present investigation, new chloroquinoline derivatives bearing vinyl benzylidene aniline substituents at 2nd position were synthesized and screed for biofilm inhibitory, antifungal and antibacterial activity. The result of biofilm inhibition of C. albicans suggested that compounds 5j (IC50 value = 51.2 μM) and 5a (IC50 value = 66.2 μM) possess promising antibiofilm inhibition when compared with the standard antifungal drug fluconazole (IC50 = 40.0 μM). Two compounds 5a (MIC = 94.2 μg/mL) and 5f (MIC = 98.8 μg/mL) also exhibited good antifungal activity comparable to standard drug fluconazole (MIC = 50.0 μg/mL). The antibacterial screening against four strains of bacteria viz. E. coli, P. aeruginosa, B. subtilis, and S. aureus suggested their potential antibacterial activity and especially all the compounds except 5g were found more active than the standard drug ciprofloxacin against B. subtilis. To further gain insights into the possible mechanism of these compounds in biofilm inhibition through the agglutinin like protein (Als), molecular docking and molecular dynamics simulation studies were carried out. Molecular modeling studies suggested the clear role in inhibition of this protein and the resulting biofilm inhibitory activity.

Merging Visible‐Light Photoredox and Lewis Acid Catalysis for the Intramolecular Aza‐Diels–Alder Reaction: Synthesis of Substituted Chromeno[4,3‐b]quinolines and [1,6]Naphthyridines

AbstractSubstituted chromeno[4,3‐b]quinolines and [1,6]naphthyridines were achieved by tandem intramolecular aza‐Diels–Alder reaction using a strategy of combination of visible‐light photoredox and Lewis‐acid‐catalysis. This intramolecular aza‐Diels–Alder cycloaddition took place between the in situ generated benzylidene anilines derived from arylamines and salicylaldehyde or 2‐aminoaryl aldehydes bearing a tethered alkene partner, followed by oxidative aromatization to give the target products. The study on the oxidative aromatization step revealed that it is much faster than the cyclization step; both the combination of imine and Lewis acid, and the combination of photocatalyst and Lewis acid under aerobic condition with the irradiation of visible light are efficient to achieve the transformation. This method provided a new access to the synthesis of important heterocycles under mild reaction conditions.

Effects of styrene unit on molecular conformation and spectral properties of CN[sbnd]PhCH[dbnd]NPhCH[dbnd]CHPh[sbnd]CN

Compound CN-PhCH=NPhCH=CHPh-CN with both stilbene and benzylidene aniline units was synthesized, and studied from the viewpoint of molecular conformation and spectroscopic property by a combined use of experimental and computational methods. The maximum UV absorption wavelength (λmax) of the compound in ethanol, acetonitrile, chloroform and cyclohexane solvents were measured, and the 13C NMR chemical shift value δC(CN) in chloroform-d was determined. The crystal structure of the compound was determined by X-ray diffraction. The frontier molecular orbital was calculated by density functional theory method. The results show that the UV absorption spectrum of the titled compound is similar to those of Schiff bases, while there is a larger red shift of λmax comparing to that of CN-PhCH=NPh-CN. Moreover, the molecular configuration of the titled compound relative to CN is anti-form, having a more obvious twisted structure. The spectral and structural behaviors are further supported by the results of frontier molecular orbital analyses, NBO, electrostatic potentials and TD-DFT calculations. The study provides deeper insights into the molecular conformation of Schiff bases.

Is there substituent cross-interaction effect in all the conjugated systems containing C[dbnd]N polar bond? The substituent effects on the NMR chemical shifts of 2,5-disubstituted pyrimidines

The substituent cross-interaction effect in the substituted benzylidene anilines (p-XC6H4CHNC6H4Y-p) has been observed and widely investigated. In order to investigate whether the substituent cross-interaction effect exist in all the conjugated systems containing CN polar bond, this paper employed 2-X-5-Y pyrimidines as the model compounds for study. The influences of substituents X and Y on the 1H NMR and 13C NMR chemical shifts of 2, 5-disubsitituted pyrimidines have been systematically investigated. Quantitative structure-chemical shifts relationship models have been built for δ(H4,6), δ(C2), δ(C4,6) and δ(C5) with four to six molecular descriptors. These models were confirmed of good stability and predictive performances by leave-one-out cross validation. This study indicates that the substituent effects of 2,5-disubstituted pyrimidines are much more complex than that of the substituted benzylidene anilines. More structural factors besides of Hammett parameter should be taken into consideration. Different from the substituted benzylidene anilines, the cross-interaction effect (Δσ2) of substituents X and Y has little contribution to δ(H4,6), δ(C2), δ(C5) and δ(C4,6) of 2,5-disubstituted pyrimidines.

Quantitative structure and activity relationship on the biological, nonlinear and the spectroscopic properties of the Schiff base material: 4-chloro-4′bromobenzylidene aniline

The structural and non-linear optical properties of the Schiff base material, 4-chloro-4′bromobenzylidene aniline (CBBA) were analysed using FTIR, FT-Raman, UV and Nuclear Magnetic Resonance spectral techniques together with DFT method and Z-scan technique. Natural Bond Orbital (NBO) analysis method was employed to analyse the intramolecular electronic interactions leading to the stability of the molecule. The complete vibrational assignments were performed based on the scaled quantum mechanical force field procedure. The energies of the frontier orbitals, HOMO–LUMO energy gap and the quantum chemical descriptors such as the electron affinity, ionisation potential, electronegativity, electrophilicity index, global softness, chemical hardness and chemical potential, were calculated in order to quantify the chemical reactivity of the molecule. The non-linear optical (NLO) properties of the CBBA molecule interrelated with the property of 4-bromo-4′chloro benzylidene aniline (BCBA), 4-bromo-4′bromo benzylidene aniline (BBBA), 4-chloro-4′chloro benzylidene aniline (CCBA) and the molecule having hydrogen atom instead of halogen atom (HHBA) was examined. The result provides direct information regarding the relationship between molecular structure and NLO property. Z scan studies performed on the molecule reveal its potential and suitability in optical limiting applications. The molecule was subjected to molecular docking on the active sites of the protein structures of 2B7A, 2E9V, 2OFV and 3E93 to observe binding modes in terms of lowest docking energy.

Physico-chemical studies of the experimental and theoretical properties of organic nonlinear optical material 4-chloro-4'methoxy benzylideneaniline

The FT-IR, FT-Raman and UV–visible spectral analysis of 4-chloro 4’-methoxy benzylidene aniline were done experimentally and interpreted with the aid of normal coordinate analysis based on density functional theory (DFT) at the B3LYP/6–311++G (d, p) level of theory. Natural Bond orbital analysis was performed to understand the charge transfer interactions and reactive sites within the system. HOMO-LUMO analysis and first static and dynamic hyperpolarizability calculations were carried out in order to confirm the NLO activity of CMOBA. Photophysical characterization was done to understand the fluorescence emission and lifetime of CMOBA leading to application in blue OLEDs. The Molecular Electrostatic Potential Map was simulated to identify the active sites for electrophilic and nucleophilic attack or the active sites of the molecule which can bind to proteins. Molecular docking analysis revealed its potential as an inhibitor for different proteins which are responsible for cancer and many inflammatory diseases such as rheumatoid arthritis, inflammatory bowel disease, Crohn's disease and psoriasis. Experimental studies of invitro antiproliferative effect by MTT assay verified the anticancer properties of CMOBA.