Enzymes play very important role in living organism as biocatalyst. They play vital role like secretion, metabolism, digestion, DNA functions, reproduction, conversation of molecules and many other functions of body. By inhibiting specific enzymes, we can cure numerous pathological conditions in humans like inhibiting HMG CoA reductase, we can decrease cholesterol synthesis which is very useful in atherosclerosis and also use for heart diseases. ACE inhibitors can reduce concentration of Angiotensin II and use to reduce blood pressure. Many of them use as pesticides and herbicides in agriculture field. The history says enzyme inhibitors are use as arrow poison and use to kill animals by developing paralysis in them. Using a digital technology scientist identified number of enzymes and their functions as well as their 3D structure. We can easily design their inhibitors and use as medicine to treat pathological conditions. So, enzyme inhibitors became first choice for medicinal chemist and scientist as a target and play extremely important role in future as medicinal compounds and became a safe option compared to other available options.

The main aim of present work was to develop eco-friendly and green method for synthesis of 3-benzylidene-2-phenylchroman-4-one derivatives. For the synthesis of 3-benzylidene-2-phenylchroman-4-one derivatives variety of acid and base catalyzed methods was performed. HCl gas and p-TSA proved ineffective as catalyst. Concentrated HCl in n-butanol was very less effective method. Upon taking base catalyst, by product was formed when taking NaOH as catalyst and very low yield obtained using piperidine as catalyst. To overcome this problem, novel and eco-friendly method was developed in which barium hydroxide used as a base catalyst. In presence of ethanol product yield drastically increased. Main benefit of this method is reaction carried out by gradual trituration and very less amount of solvent was required. By using this method, product obtained in very high yield with more purity.

The main aim of present work is to develop efficient method for synthesis of flavanone. For the synthesis of flavanone acid and based catalyzed methods were tried in which base catalyzed methods proved ineffective. No reaction was take place upon using HCl, H2SO4, glacial acetic acid and p-TSA as catalyst. In presence of methane sulphonic acid as catalyst, flavanone was formed in lower yield. Mixture of sulfuric acid and glacial acetic acid proved better catalyst than previous ones and leads to 65% yield. The reaction condition parameters effects on product yield were carried out. Ratio of sulfuric acid and glacial acetic acid in (4:1) proved highly beneficial. In methanol product yield was higher compare to other selected solvents. Solvent quantity effect on yield was also screened which proved that 50ml solvent necessary for 0.004mol of reactant. From which 90˚C temperature was highly favorable to reaction that takes minimum 6hr to complete the reaction. So, in this study we developed new efficient method for synthesis of flavanone.

The main aim of present work is to develop optimised method for synthesis of 2’hydroxy chalcone. 2’hydroxy chalcone was synthesized by Claisen–Schmidt condensation between o-hydroxy acetohenone and benzaldehyde. Variety of bases tried as catalyst for synthesis of 2’hydroxy chalcone. Calcium hydroxide and magnesium hydroxide proved ineffective for synthesis. Lithium hydroxide slightly converts reactant to product. Sodium hydroxide shows best catalytical activity compare to other bases. Isopropyl alcohol proved better solvent then other solvents like methanol, ethanol, acetonitrile, dichloromethane and tetrahydrofuran. In optimization step, effect of solvent and base quantity, stirring time and temperature was examined. Temperature shows drastic effect on product yield and purity. At 0˚C best yield was obtained. Amount of base catalyst also shows significant effect on yield. 20ml of 40% NaOH gives best results for 0.05mol reactants. 50ml IPA was needed for the best results for 0.05mol reactant. In approximate 4h, reaction should be completed. Further stirring was not too much effective.

The main aim of present work is to identification of potency of novel quinoline-4-one derivatives as a factor Xa inhibitors by in-silico ADME study and molecular docking study. Factor Xa is enzyme which play major role in blood coagulation process by conversation of prothrombine to thrombine. Thrombine is the protein which converts fibrinogen to fibrin (clot). Inhbition of factor Xa is altimetly inhbition of blood coagulation process. Due to the abnormal blood coagulation, serious to very serious problems can create and will lead to death. Betrixaban, Rivaroxaban, Epixaban and Edoxaban which are FDA approval dugs as factor Xa inhibitors. They are very potent drugs and very few side effects compare to other available anti-coagulating drugs so they was taken as a reference molecules for current study. Some novel quinoline-4-one derivatives was design and screened for factor Xa enzyme. We design 26 compounds and first they screen for in-silico ADME parameters. Very few compounds not pass Lipinski rule. A majority compound shows excellent in-silico ADME properties. In molecular docking study almost all compound shows near binding energy to reference drug and shows almost near dock score. Q23 and Q26 show excellent inhibitory activity against Factor Xa. 13 molecules shows very near dock score compare to reference drugs. This study became a reference and provides valuable data for the synthesis, in-vitro and in-vivo evaluation of quinolone-4-on derivatives as Factor Xa inhibitors.