Pharmacophore Mapping Approach for Drug Target Identification: A Chemical Synthesis and in Silico Study on Novel Thiadiazole Compounds

Pharmacophore Mapping Approach for Drug Target Identification: A Chemical Synthesis and in Silico Study on Novel Thiadiazole Compounds

Introduction: Compounds containing thiadiazole moiety are cognized to possess with variety of clinical and therapeutic activity. Finding a suitable drug target for newly synthesized compounds remain a major bottle neck in current high throughout medicinal chemistry era. Aim: To effectively synt...

Full description

Bibliographic Details
Main Authors:	Rohan J. Meshram, Vijay B. Baladhye, Rajesh N. Gacche, Bhausaheb K. Karale, Rajendra B. Gaikar
Format:	Article
Language:	English
Published:	JCDR Research and Publications Private Limited 2017-05-01
Series:	Journal of Clinical and Diagnostic Research
Subjects:	autodock hepatocyte growth factor receptor ligand scout molecular docking molecular hydrophobic potentials thiosemicarbazide
Online Access:	https://jcdr.net/articles/PDF/9925/22761_CE(RA1)_F(T)PF1_(SY_PY)_PFA(P_SY).pdf

Similar Items

In silico and in vitro studies of lupeol and iso-orientin as potential antidiabetic agents in a rat model
by: Malik A, et al.
Published: (2019-05-01)

Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening
by: Tatiana F. Vieira, et al.
Published: (2019-10-01)

Hasil In Silico Senyawa Z12501572, Z00321025, SCB5631028 dan SCB13970547 dibandingkan Turunan Zerumbon terhadap Human Liver Glycogen Phosphorylase (1l5Q) sebagai Antidiabetes
by: Fitri Kusvila Aziz, et al.
Published: (2016-12-01)

Natural Products as Chemopreventive Agents by Potential Inhibition of the Kinase Domain in ErbB Receptors
by: Maria Olivero-Acosta, et al.
Published: (2017-02-01)

AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4
by: Mario S. Valdés-Tresanco, et al.
Published: (2020-09-01)

Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1,4-naphthoquinones through molecular modelling
by: Ana Carolina Rennó Sodero, et al.

AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability
by: Pierre Darme, et al.
Published: (2021-07-01)

Understanding the Positional Binding and Substrate Interaction of a Highly Thermostable GH10 Xylanase from Thermotoga maritima by Molecular Docking
by: Jiangke Yang, et al.
Published: (2018-07-01)

In Silico, Ex Vivo and In Vivo Studies of Roflumilast as a Potential Antidiarrheal and Antispasmodic agent: Inhibition of the PDE-4 Enzyme and Voltage-gated Ca++ ion Channels
by: Najeeb Ur Rehman, et al.
Published: (2020-02-01)

Synthesis of Benzimidazole–Based Analogs as Anti Alzheimer’s Disease Compounds and Their Molecular Docking Studies
by: Bushra Adalat, et al.
Published: (2020-10-01)

Synthesis, In Vitro Screening and Docking Studies of New Thiosemicarbazide Derivatives as Antitubercular Agents
by: Monika Pitucha, et al.
Published: (2019-01-01)

4-Arylthiosemicarbazide derivatives as a new class of tyrosinase inhibitors and anti-Toxoplasma gondii agents
by: Adrian Bekier, et al.
Published: (2021-01-01)

Synthesis of Novel Triazinoindole-Based Thiourea Hybrid: A Study on α-Glucosidase Inhibitors and Their Molecular Docking
by: Muhammad Taha, et al.
Published: (2019-10-01)

In silico evaluation of rare codons and their positions in the structure of cytosine deaminase and substrate docking studies
by: Mojtaba Mortazavi, et al.
Published: (2016-06-01)

Study of potential xanthine oxidase inhibitors: In silico and in vitro biological activity
by: Muthuswamy Umamaheswari, et al.
Published: (2011-12-01)

Hypothesis on Serenoa repens (Bartram) small extract inhibition of prostatic 5α-reductase through an in silico approach on 5β-reductase x-ray structure
by: Paolo Governa, et al.
Published: (2016-11-01)

Prediction of Pharmacokinetics Parameter and Molecular Docking Study of Antidiabetic Compounds from Syzygium polyanthum and Syzygium cumini
by: Widia Wati, et al.
Published: (2020-06-01)

Genetic algorithm with a crossover elitist preservation mechanism for protein–ligand docking
by: Boxin Guan, et al.
Published: (2017-09-01)

Synthesis of New 3-Heteroarylindoles as Potential Anticancer Agents
by: Abdou O. Abdelhamid, et al.
Published: (2016-07-01)

Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening
by: Jusoh, SA, et al.
Published: (2018)

Dipeptidyl peptidase IV inhibitors derived from a mangrove flora Rhizophora mucronata: An in silico approach
by: Selvaraj Gurudeeban, et al.
Published: (2012-10-01)

Ligand-Based Pharmacophore Modeling, Molecular Docking, and Molecular Dynamic Studies of Dual Tyrosine Kinase Inhibitor of EGFR and VEGFR2
by: Frangky Sangande, et al.
Published: (2020-10-01)

Structure-based virtual screening of bioactive compounds from Indonesian medical plants against severe acute respiratory syndrome coronavirus-2
by: Maria Apriliani Gani, et al.
Published: (2021-01-01)

The Performance of Several Docking Programs at Reproducing Protein–Macrolide-Like Crystal Structures
by: Alejandro Castro-Alvarez, et al.
Published: (2017-01-01)

Thiazole–Chalcone Hybrids as Prospective Antitubercular and Antiproliferative Agents: Design, Synthesis, Biological, Molecular Docking Studies and In Silico ADME Evaluation
by: Ashok Babu Kasetti, et al.
Published: (2021-05-01)

Synthesis Some of New Substituted 1,3,4-Thiadiazole and 1,2,4-Triazole
by: Tamara alsafar, et al.
Published: (2020-03-01)

Discovery of potential cholesterol esterase inhibitors using in silico docking studies
by: Thirumalaisamy Sivashanmugam, et al.
Published: (2013-05-01)

Design of Potential Anti-Leishmanial Pharmacophores via In Silico Drug Repurposing
by: Sana Ahdeno, et al.
Published: (2020-10-01)

Screening of 1,3,4-Thiadiazole Derivatives by in silico Molecular Docking to Target Estrogen Receptor for Breast Cancer
by: Elancheran, R., et al.
Published: (2023)

Pharmacophoric Site Identification and Inhibitor Design for Autotaxin
by: Myeong Hwi Lee, et al.
Published: (2019-08-01)

Comparative modelling and molecular docking of nitrate reductase from Bacillus weihenstephanensis (DS45)
by: R. Seenivasagan, et al.
Published: (2016-07-01)

NUMBER OF RUNS VARIATIONS ON AUTODOCK 4 DO NOT HAVE A SIGNIFICANT EFFECT ON RMSD FROM DOCKING RESULTS
by: M.R.F. Pratama, et al.
Published: (2021-05-01)

Design, Synthesis, Antitumor Activity and Molecular Docking Study of Novel 5-Deazaalloxazine Analogs
by: Sawsan Mahmoud, et al.
Published: (2020-05-01)

3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors
by: Keun Woo Lee, et al.
Published: (2011-12-01)

An Efficient and One Spot Synthesis of Silica Supported Synthesis of Fluorinated 1,3,4-Thiadiazole Derivative Under Microwave Irradiation
by: Bharat K Dhotre, et al.
Published: (2020-06-01)

An Efficient and One Spot Synthesis of Silica Supported Synthesis of Fluorinated 1,3,4-Thiadiazole Derivative Under Microwave Irradiation
by: Bharat K Dhotre, et al.
Published: (2020-06-01)

In silico study of fucoxanthin as a tumor cytotoxic agent
by: Hedi I Januar, et al.
Published: (2012-01-01)

Development of a Computational Mechanism to Generate Molecules with Drug-likeCharacteristics
by: Ghiasi, Zahra
Published: (2021)

Synthesis of Novel Triazinoindole-Based Thiourea Hybrid: A Study on alpha-Glucosidase Inhibitors and Their Molecular Docking
by: Alshamrani, FJ, et al.
Published: (2019)

Rational Drug Designing Strategies and Inhibitor Optimization: Anthrax Lethal Toxin Factor
by: Pawan Kumar Jayaswal, et al.
Published: (2012-12-01)