BIOMAT Database Logo BIOMAT Database Logo

Environmentally benign synthesis of unsymmetrical ureas and their evaluation as potential HIV-1 protease inhibitors via a computational approach. 2024

Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Department of Environmental Science, Nagaland University, Lumami, Nagaland, 798627, India.

The present work reports the cost-effective, high yielding and environmentally acceptable preparation of unsymmetrical ureas from thiocarbamate salts using sodium percarbonate as an oxidant. Efficacy of the unsymmetrical ureas as potential human immune deficiency virus (HIV-1) protease inhibitors has been evaluated via in silico approach. The results revealed interactions of the urea compounds at the active site of the enzyme with favorable binding affinities causing possible mutations hindering the functioning of the enzyme. Further computational assessment of IC50 using known references satisfactorily authenticated the inhibitory action of the selected compounds against HIV-1 protease. Added to the easy synthesis of the ureas following an environmentally benign protocol, this work may be a valuable addition to the ongoing search for drugs with better efficacy profiles and reduced toxicity against HIV.

UI MeSH Term Description Entries
D006801 Humans Members of the species Homo sapiens. Homo sapiens,Man (Taxonomy),Human,Man, Modern,Modern Man
D013329 Structure-Activity Relationship The relationship between the chemical structure of a compound and its biological or pharmacological activity. Compounds are often classed together because they have structural characteristics in common including shape, size, stereochemical arrangement, and distribution of functional groups. Relationship, Structure-Activity,Relationships, Structure-Activity,Structure Activity Relationship,Structure-Activity Relationships
D014508 Urea A compound formed in the liver from ammonia produced by the deamination of amino acids. It is the principal end product of protein catabolism and constitutes about one half of the total urinary solids. Basodexan,Carbamide,Carmol
D015497 HIV-1 The type species of LENTIVIRUS and the etiologic agent of AIDS. It is characterized by its cytopathic effect and affinity for the T4-lymphocyte. Human immunodeficiency virus 1,HIV-I,Human Immunodeficiency Virus Type 1,Immunodeficiency Virus Type 1, Human
D016333 HIV Protease Enzyme of the human immunodeficiency virus that is required for post-translational cleavage of gag and gag-pol precursor polyproteins into functional products needed for viral assembly. HIV protease is an aspartic protease encoded by the amino terminus of the pol gene. HIV Proteinase,HTLV-III Protease,p16 pol gene product, HIV,p16 protease, HIV,HIV p16 protease,HTLV III Protease,Protease, HIV,Protease, HTLV-III
D017320 HIV Protease Inhibitors Inhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly. HIV Protease Inhibitor,Inhibitor, HIV Protease,Inhibitors, HIV Protease,Protease Inhibitor, HIV,Protease Inhibitors, HIV
D055772 Green Chemistry Technology Pollution prevention through the design of effective chemical products that have low or no toxicity and use of chemical processes that reduce or eliminate the use and generation of hazardous substances. Environmentally Friendly Chemical Techniques,Environmentally Friendly Chemical Technology,Environmentally Friendly Chemistry Technology,Green Chemical Techniques,Sustainable Chemistry Technology,Chemical Technique, Green,Chemical Techniques, Green,Chemistry Technologies, Green,Chemistry Technologies, Sustainable,Chemistry Technology, Green,Chemistry Technology, Sustainable,Green Chemical Technique,Green Chemistry Technologies,Sustainable Chemistry Technologies,Technique, Green Chemical,Techniques, Green Chemical,Technologies, Green Chemistry,Technologies, Sustainable Chemistry,Technology, Green Chemistry,Technology, Sustainable Chemistry
D062105 Molecular Docking Simulation A computer simulation technique that is used to model the interaction between two molecules. Typically the docking simulation measures the interactions of a small molecule or ligand with a part of a larger molecule such as a protein. Molecular Docking,Molecular Docking Simulations,Molecular Docking Analysis,Analysis, Molecular Docking,Docking Analysis, Molecular,Docking Simulation, Molecular,Docking, Molecular,Molecular Docking Analyses,Molecular Dockings,Simulation, Molecular Docking

Related Publications

Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
The synthesis of symmetrical and unsymmetrical P1/P1' cyclic ureas as HIV protease inhibitors.
May 1998, Bioorganic & medicinal chemistry letters,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Unsymmetrical cyclic ureas as HIV-1 protease inhibitors: novel biaryl indazoles as P2/P2' substituents.
November 1999, Bioorganic & medicinal chemistry letters,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Tricyclic ureas: a new class of HIV-1 protease inhibitors.
December 1998, Bioorganic & medicinal chemistry letters,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Synthesis of N-glyoxylyl peptides and their in vitro evaluation as HIV-1 protease inhibitors.
April 1997, Bioorganic & medicinal chemistry,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
The synthesis and evaluation of cyclic ureas as HIV protease inhibitors: modifications of the P1/P1' residues.
April 1998, Bioorganic & medicinal chemistry letters,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors.
April 2013, Bioorganic & medicinal chemistry,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Phenanthridine derivatives as potential HIV-1 protease inhibitors.
December 2020, Biomedical reports,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
A pharmacokinetic evaluation of HIV protease inhibitors, cyclic ureas, in rats and dogs.
October 1994, Biopharmaceutics & drug disposition,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-disubstituted ureas.
August 2004, Bioorganic & medicinal chemistry letters,
Tsenbeni N Lotha, and Kikoleho Richa, and Viphrezolie Sorhie, and Ketiyala, and Vevosa Nakro, and Imkongyanger, and Vimha Ritse, and Lemzila Rudithongru, and Nima D Namsa, and Latonglila Jamir
HIV-1 protease inhibitors: synthesis and biological evaluation of glycopeptidemimetics.
January 1993, Drug design and discovery,
Copied contents to your clipboard!