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Background: One of the major goals of computational chemists is to determine and develop the pathways for anticancer drug discovery and development. In recent past, high performance computing systems elicited the desired results with little or no side effects. The aim of the current review is to evaluate the role of computational chemistry in ascertaining kinases as attractive targets for anticancer drug discovery and development. Methods: Research related to computational studies in the field of anticancer drug development is reviewed. Extensive literature on achievements of theorists in this regard has been compiled and presented with special emphasis on kinases being the attractive anticancer drug targets. Results: Different approaches to facilitate anticancer drug discovery include determination of actual targets, multi-targeted drug discovery, ligand-protein inverse docking, virtual screening of drug like compounds, formation of di-nuclear analogs of drugs, drug specific nano-carrier design, kinetic and trapping studies in drug design, multi-target QSAR (Quantitative Structure Activity Relationship) model, targeted co-delivery of anticancer drug and siRNA, formation of stable inclusion complex, determination of mechanism of drug resistance, and designing drug like libraries for the prediction of drug-like compounds. Protein kinases have gained enough popularity as attractive targets for anticancer drugs. These kinases are responsible for uncontrolled and deregulated differentiation, proliferation, and cell signaling of the malignant cells which result in cancer. Conclusion: Interest in developing drugs through computational methods is a growing trend, which saves equally the cost and time. Kinases are the most popular targets among the other for anticancer drugs which demand attention. 3D-QSAR modelling, molecular docking, and other computational approaches have not only identified the target-inhibitor binding interactions for better anticancer drug discovery but are also designing and predicting new inhibitors, which serve as lead for the synthetic preparation of drugs. In light of computational studies made so far in this field, the current review highlights the importance of kinases as attractive targets for anticancer drug discovery and development.

Computer graphics is a dynamic field that heavily relies on mathematical techniques. For instance, subdivision scheme is used to create smooth and visually appealing curves and surfaces of arbitrary topology. The primary focus of this study is to transform two 5-point binary subdivision schemes into a single 7-point binary subdivision scheme with shape control. We have merged two binary approximating schemes that were constructed using the uniform B-spline basis function and the Lagrange basis function into a new subdivision scheme. It has been demonstrated that, for fixed values of the global shape control parameters, the curves generated by the proposed 7-point binary subdivision scheme maintain C6continuity everywhere. Furthermore, a brief discussion on the analysis of the Gibbs phenomenon in the new subdivision scheme has been presented. This is also a reminder of the challenges and intricacies involved in computer graphics and geometric modeling.

In this paper, we propose an efficient strategy for the construction of a family of ternary subdivision schemes with five parameters. These five parameters allow us to increase the choices when drawing and designing different models from the same initial control points. Moreover, by choosing appropriate values of parameters, we can get many existing ternary approximating subdivision schemes. Some of the existing ternary interpolatory and many new ternary approximating/interpolatory subdivision schemes with arbitrary order of regularities can also be obtained.

Obesity and its related complications are one of the world’s alarming preventable causes of tumor , diabetes and cardiovascular diseases. Whereas, medicinal herbs are potential source of therapeutic drugs. The present study was focused on bioactive secondary metabolites of methanolic extract from whole plant Hartmannia rosea G. Don. The new compound(1), quercetin 3-O--Dallopyranoside- 3″, 6″- diacetate (1), and two known compounds, ursolic acid (2) and gallic acid (3), were isolated for the first time from Hartmannia rosea G. Don. The structure of isolated new compound (1), quercetin 3-O--D-allopyranoside- 3″, 6″- diacetate was elucidated by using chromatographic and modern spectroscopic techniques. The cytotoxic activity, anticancer and anti- obesity effects of compound (1) were evaluated against normal ,(3T3-NIH) and Human Pancreatic cancer cell line (PSN-1). The anti- adipogenic effect on 3T3-L1 cell line was also evaluated. The tested compound (1) showed no cytotoxicity against normal cells (3T3-NIH) but has moderate activity against PSN-1 (Human Pancreatic cancer cell line) at a higher dose. However, it showed a pronounced inhibitory effect against adipogenesis of 3T3-L1 adipocytes. The inhibition of the formation of mature adipocytes indicated that quercetin 3-O--D- allopyranoside- 3″, 6″-diacetate (1) from Hartmannia rosea G. Don. has potential anti-obesity effects and may be a better alternate of chemical and biochemical agents used to control obesity and related chronic diseases. However its exact mode of action will further be undertaken.

In this article, we present a new method to construct a family of 2N+2-point binary subdivision schemes with one tension parameter. The construction of the family of schemes is based on repeated local translation of points by certain displacement vectors. Therefore, refinement rules of the 2N+2-point schemes are recursively obtained from refinement rules of the 2N-point schemes. Thus, we get a new subdivision scheme at each iteration. Moreover, the complexity, polynomial reproduction, and polynomial generation of the schemes are increased by two at each iteration. Furthermore, a family of interproximate subdivision schemes with tension parameters is also introduced which is the extended form of the proposed family of schemes. This family of schemes allows a different tension value for each edge and vertex of the initial control polygon. These schemes generate curves and surfaces such that some initial control points are interpolated and others are approximated.

Subdivision schemes play a vital role in curve modeling. The curves produced by the class of 2n+2-point ternary scheme (Deslauriers and Dubuc (1989)) interpolate the given data while the curves produced by a class of 2n+2-point ternary B-spline schemes approximate the given data. In this research, we merge these two classes to introduce a consolidated and unified class of combined subdivision schemes with two shape control parameters in order to grow versatility for overseeing valuable necessities. However, the proposed class of subdivision schemes gives optimal smoothness in the final shapes, yet we can increase its smoothness by using a proposed general formula in form of its Laurent polynomial. The theoretical analysis of the class of subdivision schemes is done by using various mathematical tools and using their coding in the Maple environment. The graphical analysis of the class of schemes is done in the Maple environment by writing the codes based on the recursive mathematical expressions of the class of subdivision schemes.

We present a new variant of Lane-Riesenfeld algorithm for curves and surfaces both. Our refining operator is the modification of Chaikin/Doo-Sabin subdivision operator, while each smoothing operator is the weighted average of the four/sixteen adjacent points. Our refining operator depends on two parameters (shape and smoothing parameters). So we get new families of univariate and bivariate approximating subdivision schemes with two parameters. The bivariate schemes are the nontensor product schemes for quadrilateral meshes. Moreover, we also present analysis of our families of schemes. Furthermore, our schemes give cubic polynomial reproduction for a specific value of the shape parameter. The nonuniform setting of our univariate and bivariate schemes gives better performance than that of the uniform schemes.