Antibiotic and antifungal resistance problems have been prevalent in recent decades. One of the efforts to solve is develop new medicines with more potent antibacterial activity. N-phenylbenzamides potential be developed as medicine. This study aimed synthesize evaluate their silico vitro activities. The studies conducted absorption, distribution, metabolism, excretion toxicity (ADMET) predictions along molecular docking studies. ADMET used pkCSM software online, while MVD (Molegro ® Virtual...

Context: In the last decade, antimicrobial resistance cases have been widespread. The discovery and development of new drugs need to be done overcome case. Some research has found that some compounds, which are curcumin transformation derivatives, able inhibit growth Staphylococcus aureus. Aims: To evaluate candidates versus S. Methods: in silico approach method, along with QSAR technique, plays an important role process drugs. this study, we focused on developing derivatives much more...

Rheumatoid arthritis (RA) is a progressive and chronic systemic autoimmune disease. However, currently treatment often carried out using NSAIDs corticosteroids. Although it reduces symptoms, this has high rate of side effects. This study aims to determine the anti-inflammatory property Curcuma heyneana so that can be used as an alternative for RA. Based on author knowledge, C. from Indonesian region RA still limited. ’s rhizome was extracted by maceration with ethanol followed fractionation...

Context: Smallanthus sonchifolius or yacon has been reported to have hypoglycemic effects. Inhibition of sodium-glucose cotransporter 2 (SGLT-2) is one the mechanisms antidiabetic drugs. Aims: To evaluate potential compounds in S. as SGLT-2 inhibitors using molecular docking analysis and dynamic simulation, well predict pharmacokinetic profiles potent ADMETlab 3.0. Methods: Fourteen molecules from were docked with (PDB Code 7VSI) simultaneously empagliflozin canagliflozin standard ligands....

Context: First-line therapy using artemisinin-based combination (ACT) and chloroquine in cases of malaria infection has developed resistance worldwide. Aims: To synthesize functionalized dibenzylideneacetones that are similar to curcumin perform the silico evaluations on Plasmodium falciparum enoyl acyl carrier protein reductase (PfENR) through human dihydrofolate (hDHFR) as targets for antimalarial agents. Methods: The were synthesized a reaction acetone with benzaldehydes base or acid...

Background: Nowadays, a lot of new active substances as anticancer agents have been developed. One the protein targets is selective cyclooxygenase-2 (COX-2). Selective COX-2 regulator cell proliferation. Objective: In this research, quinazoline derivatives were used to design agent through inhibition. The potential activity could be increased by substitution in position 2 and 3 quinazolinone. Molecular docking inhibition was required predict their antiproliferation activity. Methods:...

This study aims to synthesize a series of benzoxazines (1-5) be examined as an epidermal growth factor receptor (EGFR) inhibitor by in-silico study. The overexpression EGFR causes the normal lung cells become uncontrollable, which may lead cancer formation. We also conducted absorption, distribution, metabolism, excretions and toxicity (ADMET) properties evaluation in vitro anticancer assay on human line, is A549.Benzoxazines were synthesized reacting anthranilic acid benzoyl chlorides....

Currently Mycobacterium tuberculosis is found to be resistant the treatment of with rifampin and isoniazid (INH) often stated as multi-drug resistance (MDR). Knowledge determination biological properties plant extracts a source drug candidates in various health fields. Therefore, natural products are important discovery new drugs, especially disease therapy, particularly for tropical diseases, tuberculosis. Brucea javanica, known Buah Makasar, many Asian countries including Indonesia. This...

The specific aims of this study is to synthesize and the possible mechanism N'-benzoylsalicylhydrazide derivatives as an antituberculosis agent through InhA (Enoyl acyl carrier protein reductase) inhibition using in silico method. Five analogues were synthesized microwave irradiation from methyl salicylate starting material, which yielded 80-90% product on average. This indicates a considerable improvement terms effectivity efficiency, compared more conventional method reflux condition....

2-Hydroxy-N′-(4-fluorobenzoyl)benzohydrazide was synthesized in two steps using methyl salicylate as the starting material. The reaction took place via microwave-aided hydrazinolysis, followed by acylation 4-fluorobenzoyl chloride at low temperature to yield target compound.

This research aims to analyze 500 samples for illicit drugs and NPS (New Psychoactive Substances) using GC-MS (Gas Chromatography Mass Spectrometry) in East Java Indonesia. Sample analysis was carried out by with HP-5 column, injection port temperature of 250°C. Column maintained at 100°C 2 minutes. It then raised from10°C/minute 280°C 5 minutes Based on the results, it detected 244 (48.8 %) Methamphetamine (MA); 30 (6 3,4-Methylenedioxymethamphetamine (MDMA); 44 (8.8...

Background: Antimicrobial resistance (AMR) cases have been widespread in the last decade. To overcome this, new drugs need to be discovered and developed. Objective: This research aims develop antimicrobial candidates; some has found that compounds with pyridothienopyrimidine derivatives can inhibit growth of pseudomonas aeruginosa. Methods: The silico approach method, along quantitative structure-activity relationship (QSAR) technique, plays an important role discovering developing drugs....

Context: Breast cancer ranks as the leading cause of mortality among women in Indonesia. Thiourea is a compound containing sulfur atom and nitrogen which its chemical structure resembles urea compound, has been applied an anticancer, such hydroxyurea, nitrosourea, 5-fluorouracil, sorafenib. Aims: To develop anticancer candidates new thiourea derivative, N-(phenylcarbamothioyl)-4-chloro-benzamide (4-Cl-PCTB). Methods: The was synthesized from phenylthiourea 4-chloro-benzoyl chloride by...

Some benzylidenehydrazides (3a-e) have been synthesized in three reaction steps from anthranilic acid good yields, about 70% - 99%. The structures of the compounds were analyzed using spectroscopic methods. evaluated its activity against human lung cancer, A549 cell line by MTT method and studied molecular docking onto protein tyrosine kinase (PDB ID: 1M17) Molegro® vs. 5.5. data showed that N-(2-(2-(4-nitrobenzylidene)hydrazinecarbonyl)phenyl)benzamide (3d) which yield has highest on...

Context: In the last decade, resistance to epidermal growth factor receptor-tyrosine kinase inhibitors (EGFR-TKIs) in lung cancer cases has been widespread. The discovery and development of new drugs need be done overcome case. Aims: To develop anticancer candidates with benzylidene hydrazine benzamides derivatives that can inhibit human cell line A459. Methods: silico approach method, along QSAR technique, plays an important role process drugs. this study, we focused on developing are much...

The development of anticancer drugs from ethyl p-methoxycinnamate (EPMC) derivatives continue to obtain compounds that have high ability cancer cells apoptosis and minimal side effects. Compounds p-Methoxycinnamoyl hydrazide EPMC structure modification were docked into the ligand-binding pocket Check point kinase 1 enzymes (2YWP) aromatase enzyme (3S7S) using software Molegro Virtual Docker (MVD) Ver.5.5.We compared Rerank score native ligand with derived hydrazide. Compound 4b 4c (-99.98...

Abstract In silico study was performed to predict the possibility of 1-benzyl-3-benzoylurea and 22 analogs as anticancer drug candidates, via VEGFR2 inhibition. Molecular docking studies against receptor revealed that all designed compounds have better score than lead compound, which three (p-nitro, p-methoxy, p-ethyl) were considered optimal among other (< -90 kcal mol −1 ). However, this result not comparable lenvatinib, acts native ligand (-118.62 Docking poses analysis showed failed...

Momordica charantia Linn. (Pare) adalah salah satu tanaman yang sering digunakan oleh masyarakat untuk menurunkan kadar gula darah pada pasien diabetes militus. Secara empiris Fitokimia terkandung berasa pahit dipercaya dapat melawan efek manis dari gula. Oleh karena itu Penelitian ini bertujuan mengidentifikasi mekanisme penghambatan enzim alfa glukosidase senyawa yaitu cucurbitene, lanostene, momordicin derivatives, momordicoside goyaglycoside derivatives dalam menghambat α-glukosidase...