Inventi Rapid - Molecular Modeling
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Journal Scope:
Quarterly published in print and online ‘Inventi Rapid/Impact: Molecular Modeling’ publishes high quality unpublished as well as high impact pre-published research and reviews catering to the needs of researchers and professionals. The journal includes all aspects of molecular modeling and computational chemistry, including study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, QSAR, structure-activity and structure-property relationships, database mining, and compound library design.
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LIGAND BASED PHARMACOPHORE MODELING, DOCKING AND ADME PREDICTION OF SUBSTITUTED INDOLE 2, 3 DIONES AS NNRTI’S
Treatment of viral diseases is currently a challenging task because of drug resistance in antiviral treatment and insufficient efficacy of approved antiviral drugs. First generation non-nucleoside reverse transcriptase inhibitors (NNRTI) i.e nevirapine, delavirdine, efavirenz are playing crucial role in the treatment of HIV infection. Pharmacophore modeling of designed compounds is a predictive to...
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AN OVERVIEW OF APPROACHES BASED ON FRAGMENT BASED DRUG DESIGN
Fragment-based drug design has become an important and powerful tool for drug discovery. We present a review on the overview of the fragment-based drug design. We also discuss the novel approaches of fragment-based drug design (FBDD). FBDD is used for finding the lead compound and identifying the small chemical fragments, which may binds only to the biological target and produce a lead with a high...
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INTEGRATION OF PHARMACOPHORE MODELLING POCKET MODELLING TO DESIGN DIPEPTIDYL PEPTIDASE-4 INHIBITORS: A MODERN APPROACH TO TREAT TYPE 2 DIABETES
Diabetes mellitus is chronic disorder having high rate of mortality. The currently available antidiabetic drugs target either insulin resistance (metformin, glitazones) or insulin deficiency (sulfonylurea, glinides) but leading to shortfalls in medication. Dipeptidyl peptidase-4 is promising target for development of novel antidiabetic agents. The current advances in computational chemistry and bi...
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IN-SILICO DOCKING STUDIES ON DISCORHABDIN C, PYRROLOIMINOQUINONE ALKALOID AGAINST MCF-7 CELLS WITH HUMAN ESTROGEN RECEPTOR AS TARGET PROTEIN
The compound, Discorhabdin C comes under pyrroloiminoquinone alkaloid family was synthesized by the reaction of conversion of aminoindoloquinone imine into its corresponding silylether and the subsequent oxidative coupling reaction using PIFA. Due to their prominent potent antitumor activity, discorhabdins have attracted considerable attention. Many studies have been reported toward the synthesis ...
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MOLECULAR DOCKING STUDY OF NOVEL QUINOLINE DERIVATIVES
The molecular docking studies were performed on novel quinoline derivatives using HVR protein. The compounds AR-05, AR-07, AR-08 were found to show best docking scores towards HVR protein (HIV protease receptor) indicating that these compounds may be screened for in vivo anti-HIV activity. It can be concluded theoretically that when 2nd position of quinoline ring is attached with phenol and attach...
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DESIGN 16S RRNA AND 18S RRNA UNIVERSAL PRIMERS FOR DETECT THE PATHOGENICITY IN KERATITIS DISEASE USING IN-SILICO C++ ANALYSIS
Microbial keratitis is a major cause of monocular blindness in developing countries. Keratitis caused by bacteria, viruses, fungi and parasites. This study investigates that the universal primer designing the bacterial and fungal genes for clinical diagnosis of infectious eye samples by using C++ algorithms. Patients were examined with a slit lamp biomicroscope. The bacterial and fungal colonies w...
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