List of works - Sajjad Gharaghani

A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine

scientific article published in September 2007

A novel proteochemometrics model for predicting the inhibition of nine carbonic anhydrase isoforms based on supervised Laplacian score and k-nearest neighbour regression

scientific article published on 08 June 2018

A structure-based QSAR and docking study on imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4,]benzodiazepines as Selective GABA(A) α5 inverse agonists.

scientific article

An in-depth view of potential dual effect of thymol in inhibiting xanthine oxidase activity: Electrochemical measurements in combination with four way PARAFAC analysis and molecular docking insights

scientific article published on 07 August 2018

Chemometric studies of thymol binding with bovine serum albumin: A developing strategy for the successful investigation of pharmacological activity

scientific article published on 29 July 2018

Deciphering the inhibition effect of thymoquinone on xanthine oxidase activity using differential pulse voltammetry in combination with theoretical studies

scientific article published on 02 November 2018

Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies

scientific article published on 05 March 2020

Hybrid docking-QSAR studies of DPP-IV inhibition activities of a series of aminomethyl-piperidones

scientific article

In Silico Drug-Designing Studies on Sulforaphane Analogues: Pharmacophore Mapping, Molecular Docking and QSAR Modeling

scientific article published on 12 November 2019

Investigation of the interaction between amodiaquine and human serum albumin by fluorescence spectroscopy and molecular modeling

scientific article published on 12 May 2012

Melatonin Therapy Modulates Cerebral Metabolism and Enhances Remyelination by Increasing PDK4 in a Mouse Model of Multiple Sclerosis

scientific article published on 28 February 2019

Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors

scientific article published on 17 July 2013

Monitoring the protective ability of thymoquinone mixture with p-cymene against bovine serum albumin (BSA) glycation: MCR-ALS analysis based on combined spectroscopic and electrochemical methods

scientific article

New insights into the efficiency of thymol synergistic effect with p-cymene in inhibiting advanced glycation end products: A multi-way analysis based on spectroscopic and electrochemical methods in combination with molecular docking study.

scientific article published on 24 December 2017

QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors

scientific article published on 16 January 2015

Scoring multiple features to predict drug disease associations using information fusion and aggregation.

scientific article published on 25 July 2016

Sequential and Mixed Genetic Algorithm and Learning Automata (SGALA, MGALA) for Feature Selection in QSAR.

scientific article published on January 2017

Spectrophotometric determination of synthetic colorants using PSO-GA-ANN.

scientific article published on 4 October 2016

Structural stability of β-lactoglobulin in the presence of cetylpyridinum bromide: spectroscopic and molecular docking studies

scientific article published on 05 March 2017

Synthesis of novel norsufentanil analogs via a four-component Ugi reaction and in vivo, docking, and QSAR studies of their analgesic activity.

scientific article

Synthesis, characterization and biological application of four novel metal-Schiff base complexes derived from allylamine and their interactions with human serum albumin: Experimental, molecular docking and ONIOM computational study

scientific article published on 7 July 2016

Synthesis, characterization and separation of chiral and achiral diastereomers of Schiff base Pd(II) complex: A comparative study of their DNA- and HSA-binding.

scientific article published on 25 August 2016

Toward a hierarchical virtual screening and toxicity risk analysis for identifying novel CA XII inhibitors

scientific article published on 9 September 2017

List of works by Sajjad Gharaghani

A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine

A novel proteochemometrics model for predicting the inhibition of nine carbonic anhydrase isoforms based on supervised Laplacian score and k-nearest neighbour regression

A structure-based QSAR and docking study on imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4,]benzodiazepines as Selective GABA(A) α5 inverse agonists.

An in-depth view of potential dual effect of thymol in inhibiting xanthine oxidase activity: Electrochemical measurements in combination with four way PARAFAC analysis and molecular docking insights

Chemometric studies of thymol binding with bovine serum albumin: A developing strategy for the successful investigation of pharmacological activity

Deciphering the inhibition effect of thymoquinone on xanthine oxidase activity using differential pulse voltammetry in combination with theoretical studies

Design of potential anti-tumor PARP-1 inhibitors by QSAR and molecular modeling studies

Hybrid docking-QSAR studies of DPP-IV inhibition activities of a series of aminomethyl-piperidones

In Silico Drug-Designing Studies on Sulforaphane Analogues: Pharmacophore Mapping, Molecular Docking and QSAR Modeling

Investigation of the interaction between amodiaquine and human serum albumin by fluorescence spectroscopy and molecular modeling

Melatonin Therapy Modulates Cerebral Metabolism and Enhances Remyelination by Increasing PDK4 in a Mouse Model of Multiple Sclerosis

Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors

Monitoring the protective ability of thymoquinone mixture with p-cymene against bovine serum albumin (BSA) glycation: MCR-ALS analysis based on combined spectroscopic and electrochemical methods

New insights into the efficiency of thymol synergistic effect with p-cymene in inhibiting advanced glycation end products: A multi-way analysis based on spectroscopic and electrochemical methods in combination with molecular docking study.

QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors

Scoring multiple features to predict drug disease associations using information fusion and aggregation.

Sequential and Mixed Genetic Algorithm and Learning Automata (SGALA, MGALA) for Feature Selection in QSAR.

Spectrophotometric determination of synthetic colorants using PSO-GA-ANN.

Structural stability of β-lactoglobulin in the presence of cetylpyridinum bromide: spectroscopic and molecular docking studies

Synthesis of novel norsufentanil analogs via a four-component Ugi reaction and in vivo, docking, and QSAR studies of their analgesic activity.

Synthesis, characterization and biological application of four novel metal-Schiff base complexes derived from allylamine and their interactions with human serum albumin: Experimental, molecular docking and ONIOM computational study

Synthesis, characterization and separation of chiral and achiral diastereomers of Schiff base Pd(II) complex: A comparative study of their DNA- and HSA-binding.

Toward a hierarchical virtual screening and toxicity risk analysis for identifying novel CA XII inhibitors