INTRODUCTION:

Mangroves are woody, salt-tolerant, adapted species of trees lives in brakish water and harsh coastal conditions where other plant species are unable to grow. Mangrove forests make up one of the most productive and biologically diverse ecosystems on the planet. Globally there are around 39.3 million acres of mangroves forest in the coastlines of tropical oceans¹. From long times ago constituents in mangroves have been used in folk medicines to treat several diseases². The crude leaves extracts of mangrove species showed important antioxidant and antimicrobial activity^3,4.

Avicennia marina, also known as white mangrove or grey mangrove, is a shrub or tree belonging to the Acanthaceae family.

They are commonly 10–14 m long and have light grey or whitish bark with stiff, brittle, thin flakes. Their leaves are thick, glossy, and bright green on the upper side and gray or silvery white with small hairs on the lower side. The information of the compounds obtained from mangrove is very rare but several important classes of compounds like alkaloids, flavonoids, benzofurans, benzoquinones, carotenoids, steroids, tannins, triterpenes, aminoacids, carbohydrates, organicacids, glycoside, anthocyanides, procyanides, alcohols, sugars and lipids are previously reported^5,6.

Hence, the current study aims to investigate the phytochemical present in extracts of Avicennia marina leaves with the help of FTIR, HPLC, UV-VIS and the computer tool called Swiss ADME technique.

MATERIALS AND METHODS:

Collection of samples:

Samples of mangrove Avicennia marinawere collected from mangroves habitat in Revdanda near Alibaug, Raigad District. Samples were transported in polyethylene bags. The leaves were washed with tap water several times to remove sand and debris. Sample was dried at ambient temperature in darkness. The dried leaves grinded by using electric blender for laboratory analysis.

Plant Extraction:

The extraction of Avicennia marina leaves was carried out by soaking the material in methanol (1:10 w/v i.e., 5g of sample in 50ml methanol) at room temperature for 24 hours. The extract after soaking, is filtered. Again adding 50ml fresh methanol to residue and boil it in boiling water bath till half the solution remains. Filter it and combine this filtrate and initial filtrate and kept it for as it is for evaporation of methanol. Finally extract is obtained.

Fourier Transform Infrared Spectroscopy (FTIR):

The FTIR analysis is one of the most commonly used analytical technique used to identify the functional groups of any plant extracts. Molecules absorb specific frequencies that are characteristic of their structure as can be seen in the spectrum. Dried powder of methanolic extract of plant material was used for FTIR analysis. 10mg of dried extract powder was loaded in FTIR spectroscope (Shimadzu, IR Affinity- 15WL) with a scan range from 500 to 4000cm^-17,8,9.

High Performance Liquid Chromatography (HPLC):

The HPLC analysis of methanolic extract was carried out with chromatographic system (Shimadzu-LC-20AR). The separation was completed on a C18 5μ (4.6mm*250.0) column at ambient temperature. The mobile phase involves methanol and the separation was completed by using isocratic mode, elution completed at a flow rate of 1mL/min. The sample was run for 20 minutes and detection was done at 254nm by PDA detector. All chromatographic data were recorded and processed using Lab Solution software^10,11,12.

UV-Visible Spectroscopy:

The sample was prepared by dissolving 1.0g sample in 100ml methanol and filtered through Whatmann filter paper No. 41. The sample was transferred to a cuvette (1 cm pathway) and the extract was scanned in wavelength ranging from 200nm to 700nm using Shimadzu Corporation, Japan (UV-1800 240V) spectrophotometer^13,14.

Swiss ADME:

Swiss ADME is a online tool of Swiss institute of bioinformatics was used to identify particular ADME behaviours of the compounds from Avicennia marina leaves. In this tool, results are presented for each molecule in the form of tables, graphs and excel spreadsheet¹⁵.

Physiochemical properties:

Physicochemical properties consist of clean molecular and physicochemical characteristics like molecular formula, molecular weights, number of heavy atoms, number of atomic heavy atoms, fraction csp3, number of rotatable bond, number of H-bond acceptors, number of H-bond doners, molar refractivity, TSPA respectively^16,17.

Lipophilicity:

Swiss ADME gives access to five freely available predictive models; i.e. XLOGP3, an atomistic method along with corrective factors and knowledge-based library¹⁸, WLOGP, accomplishment of a purely atomistic method based on the fragmental system of¹⁹; MLOGP, an archetype of topological method dependent on a linear relationship implemented with 13 molecular descriptors^20,21; SILICOS-IT, an hybrid method dependent on 27 fragments and 7 topological descriptors; iLOGP, it is based on physics dependent on free energies of solvation in n-octanol and water calculated by the Generalized-Born and solvent accessible surface area (GB/SA) model. The consensus log Po/w is the average of the above five predicted values by the five proposed methods²².

Solubility:

In Swiss ADME, there are two topological methods considered for prediction of Water Solubility. The first one is an implementation of the ESOL (Solubility class: Log S Scale: Insoluble<-10 poorly<-6, moderately<-4 soluble<-2 very<0<highly)and the another one is executed from Ali et al.2012 (Solubility class: Log S Scale: Insoluble<-10 poorly<-6, moderately<-4 soluble<-2very<0<highly). Both differ from the seminal general solubility equation^23,24. Swiss ADME third predictor for water solubility was developed by SILICOS-IT (Solubility class: Log S Scale: Insoluble<-10 poorly<-6, moderately<-4 soluble<-2 very<0<highly) where the linear coefficient is fixed by molecular weight (R²=0.75).

Pharmacokinetics:

In pharmacokinetics section, evaluate particular ADME behaviours of the molecule under investigation. The elliptical region called Eggan egg involves GI absorption and BBB. The information of compounds being substrate or non-substrate of the permeability glycoprotein is key to appraise active efflux through biological membranes, for instance from the gastrointestinal wall to the lumen²⁵. In this prediction, five major inhibitor (CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4) and Log Kp (skin pentration coefficient) are studied.

Drug likeness:

Earlier in the discovery process of Drug involves assessment of ADME. Swiss ADME online tool was used to predict ADME parameters and drug-likeness nature of phytochemicals²⁶. Swiss ADME predicts drug-likeness of molecule based on five disparate filters (Lipinski, veber, egan, muegge and bioavailability score).

Medicinal chemistry:

The purpose of this section is to help medicinal chemists in their daily drug discovery endeavours. These section includes four parameters Pains, Brenk, Leadlikeness and Synthetic accessibility.

RESULT AND DISCUSSION:

FTIR, HPLC and UV-VIS analysis was performed for present studies. The result obtained summarised below.

The FTIR spectrum of methanol leaves extract of Avicennia marina indicates the presence of different functional group. The result shown in figure 1 and table (1). The peak near 3304 cm^-1is O-H stretch (alcohol). Also the peaks near 3059 cm^-1, 2924 cm^-1 and 1620 cm^-1are C-H stretch (aromatics), C-H stretch (alkanes) and N-H bend (primary amines) respectively.

Figure 1: FTIR spectrum of methanolic extract of Avicennia marinaleaves

Table 1: FTIR Spectrum Peak Value and Functional Group obtain from methanolic extract of Avicennia marina leaves

S. No.	Peak Value	Functional group	Phyto compound identified
1	3304.06	O-H stretch	Alcohol
2	3059.1	C-H stretch	Aromatics
3	2924.09	C-H stretch	Alkanes
4	2852.72	C-H stretch	Alkanes
5	1620.21	N-H bend	Primary amine
6	1492.9	C-C stretch (in-ring)	Aromatics
7	1257.59	C-N stretch	Aromatic amines
8	1220.94	C-N	Aliphatic amines
9	1159.22	C-O stretch	Carboxylic acid, esters, ethers
10	979.84	=C-H bend	Alkenes

The result obtained from HPLC were shown in the figure 2. In table (2) shown that the methanol extract of Avicennia marina leaves have more than one retention time. The HPLC analysis of Avicennia marina leaves gave 11 peaks with maximum height at 2.699 min of retention time.

Figure 2: HPLC chromatogram of Avicennia marina leaves extract

Table 2: HPLC peak table of Avicennia marinaleaves extract

Peak	Retention Time	Area	Height
1	1.978	1011	194
2	2.699	5672409	440745
3	3.282	83680	14928
4	3.377	113902	19864
5	3.870	3322	721
6	4.030	41132	5811
7	5.092	1203	186
8	5.297	1219	170
9	7.603	9587	641
10	8.057	5410	349
11	11.887	5903	286
Total		5938778	483895

The UV-Visible spectroscopy of extract Avicennia marina leaves was carried out at a range 200 to 700nm. The profile showed peaks at 663, 601, 320, 281, 634, 311, 261nm with absorbance 0.0024, 0.022, 0.358, 0.400, 0.019, 0.352, 0.365 respectively shown in Figure 3 and Table (3). The maximum absorbance is 0.400 at 281 nm.

Table 3: UV-Visible Spectrum Peak values of methanolic extract of Avicennia marina leaves

S. No	Wavelength (nm)	Absorbance
1	663	0.0024
2	601	0.022
3	320	0.358
4	281	0.400
5	634	0.019
6	311	0.352
7	261	0.365

The result on predictive data for Physicochemical properties, Lipophilicity, Water solubility, Pharmacokinetics, Drug likeness and Medicinal Chemistry Friendliness of established 10 Phytochemicals such as 4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester, Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester, 17-Octadecynoic acid, Phthalic acid, butyl tetradecyl ester, Pentadecanoic acid,14-methyl-, methyl ester, 9-Octadecenoic acid (Z)-, methyl ester, 2-Methoxy-4-vinylphenol (Table 4-9).

In table 4, molecular formula and molecular weight are obtained. 4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester (C11H20O3, 200g/mol), Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester (C13H22O3, 226g/mol), Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester (C16H30O4Si3, 370g/mol), 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (C14H22O, 206g/mol), Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester (C16H26O2, 250g/mol), 17-Octadecynoic acid (C18H32O2, 280g/mol), Phthalic acid, butyl tetradecyl ester (C26H42O4, 418g/mol), Pentadecanoic acid,14-methyl-, methyl ester (C17H34O2, 270g/mol), 9-Octadecenoic acid (Z)-, methyl ester (C19H36O2, 296g/mol), 2-Methoxy-4-vinylphenol (C9H10O2, 150g/mol).

Table 4: General characteristics of phytochemicals of Avicennia marina leaves

S. No.	Small Molecule	Molecular formula	Canonical Smiles	Molecular weight (in g/mol)
1	4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester	C₁₁H₂₀O₃	C=CC(CCC(=O)OC(C)(C)C)(O)C	200
2	Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester	C₁₃H₂₂O₃	CCCCCC1C(CCC1=O)CC(=O)OC	226
3	Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester	C₁₆H₃₀O₄Si₃	O=C(c1ccc(cc1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	370
4	3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	C₁₄H₂₂O	CC1=CCCC(C1/C=C(/C(=O)C)\C)(C)C	206
5	Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester	C₁₆H₂₆O₂	CC(=O)OCC1CC2=C(CC1C)CCCC2(C)C	250
6	17-Octadecynoic acid	C₁₈H₃₂O₂	C#CCCCCCCCCCCCCCCCC(=O)O	280
7	Phthalic acid, butyl tetradecyl ester	C₂₆H₄₂O₄	CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC	418
8	Pentadecanoic acid,14-methyl-, methyl ester	C₁₇H₃₄O₂	COC(=O)CCCCCCCCCCCCC(C)C	270
9	9-Octadecenoic acid (Z)-, methyl ester	C₁₉H₃₆O₂	CCCCCCCC/C=C\CCCCCCCC(=O)OC	296
10	2-Methoxy-4-vinylphenol	C₉H₁₀O₂	COc1cc(C=C)ccc1O	150

Table 5: Lipophilicity of the phytochemicals of Avicennia marina leaves

No	Small Molecule	iLOGP	XLOGP3	WLOGP	MLOGP	Silicos-IT	Consensus Log P_o/w
1	4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester	2.50	1.57	2.05	1.88	2.01	2.00
2	Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester	2.94	2.67	2.73	2.04	3.14	2.70
3	Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester	4.58	5.99	5.11	2.97	-0.22	3.69
4	3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	2.85	4.22	3.90	3.21	3.65	3.57
5	Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester	3.48	3.67	4.10	3.69	3.85	3.76
6	17-Octadecynoic acid	3.98	7.21	5.64	4.57	5.96	5.47
7	Phthalic acid, butyl tetradecyl ester	4.87	7.97	7.50	5.65	8.17	6.83
8	Pentadecanoic acid,14-methyl-, methyl ester	4.59	7.20	5.50	4.44	5.67	5.48
9	9-Octadecenoic acid (Z)-, methyl ester	4.63	7.45	6.20	4.80	6.54	5.92
10	2-Methoxy-4-vinylphenol	2.14	2.81	1.93	1.71	2.13	2.14

Table 6: Water solubility of the phytochemicals of Avicennia marina leaves

Small Molecule

ESOL

Ali

SILICOS-IT

Log S (ESOL)

Solubility

Class

Log S (ESOL)

Solubility

Class

Log S (ESOL)

Solubility

Class

mg/ml

mol/L

mg/ml

mol/L

mg/ml

mol/L

4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester

-1.67

4.23e+00

2.11e-02

Very soluble

-2.16

1.39e+00

6.96e-03

Soluble

-1.90

2.52e+00

1.26-02

Soluble

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester

-2.46

7.79e-01

3.44e-03

Soluble

-3.23

1.23e-01

5.85e-04

Soluble

-3.19

1.46e-01

6.44e-04

Soluble

Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester

-5.64

8.44e-04

2.28e-06

Moderately soluble

-6.71

7.28e-05

1.96e-07

Poorly soluble

-5.31

1.82e-03

4.90e-06

Moderately soluble

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one

-3.65

4.66e-02

2.26e-04

Soluble

-4.29

1.06e-02

5.14e-05

Moderately soluble

-3.04

1.89e-01

9.18e-04

Soluble

Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester

-3.51

7.80e-02

3.12e-04

Soluble

-3.91

3.07e-02

1.23e-04

Soluble

-3.80

3.95e-02

1.58e-04

Soluble

17-Octadecynoic acid

-5.13

2.07e-03

7.39e-06

Moderately soluble

-7.82

4.28e-06

1.53e-08

Poorly soluble

-5.41

1.10e-03

3.94e-06

Moderately soluble

Phthalic acid, butyl tetradecyl ester

-6.28

2.17e-04

5.19e-07

Poorly soluble

-8.93

4.96e-07

1.19e-09

Poorly soluble

-8.93

4.90e-07

1.17e-09

Poorly soluble

Pentadecanoic acid,14-methyl-, methyl ester

-5.13

2.01e-03

7.43e-06

Moderately soluble

-7.57

7.20e-06

2.66e-08

Poorly soluble

-5.64

6.24e-04

2.31e-06

Moderately soluble

9-Octadecenoic acid (Z)-, methyl ester

-5.32

1.43e-03

4.83e-06

Moderately soluble

-7.83

4.34e-06

1.46e-08

Poorly soluble

-6.09

2.40e-04

8.11e-07

Poorly soluble

2-Methoxy-4-vinylphenol

-2.81

2.31e-01

1.54e-03

Soluble

-3.09

1.23e-01

8.21e-04

Soluble

-2.38

6.30e-01

4.20e-03

Soluble

Table 7: Pharmacokinetic Parameters of the Phytochemicals of Avicennia marina leaves

Small Molecule	GI absorption	BBB permeant	P-gp substrate	CYP1A2 inhibitor	CYP2C19 inhibitor	CYP2C9 inhibitor	CYP2D6 inhibitor	CYP3A4 inhibitor	Log K_p(cm/s)
4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester	High	Yes	No	No	No	No	No	No	-6.41
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester	High	Yes	No	No	No	No	No	No	-5.78
Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester	High	Yes	Yes	Yes	No	Yes	Yes	No	-4.31
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	High	Yes	No	No	No	Yes	No	No	-4.56
Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester	High	Yes	No	No	Yes	Yes	No	No	-5.22
17-Octadecynoic acid	High	Yes	No	Yes	No	Yes	No	No	-2.89
Phthalic acid, butyl tetradecyl ester	Low	No	No	No	No	No	No	Yes	-3.19
Pentadecanoic acid,14-methyl-, methyl ester	High	Yes	No	Yes	No	No	No	No	-2.84
9-Octadecenoic acid (Z)-, methyl ester	High	No	No	Yes	No	No	No	No	-2.82
2-Methoxy-4-vinylphenol	High	Yes	No	Yes	No	No	No	No	-5.22

Table 8: Drug likeness of the Phytochemicals of Avicennia marina leaves

Small Molecule	Lipinski	Ghose	Veber	Egan	Muegge	Bioavailability score
4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester	Yes; 0 violation	Yes	Yes	Yes	No; 1 violation: XLOGP3>5	0.55
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	Yes; 0 violation	Yes	Yes	Yes	No; 1 violation: Heteroatoms<2	0.55
Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
17-Octadecynoic acid	Yes; 1 violation: MLOGP>4.15	No; 1 violation: WLOGP>5.6	No; 1 violation: Rotors>10	Yes	No; 1 violation: XLOGP3>5	0.85
Phthalic acid, butyl tetradecyl ester	Yes; 1 violation: MLOGP>4.15	No; 2 violations: WLOGP>5.6, #atoms>70	No; 1 violation: Rotors>10	No; 1 violation: WLOGP>5.88	No; 2 violations: XLOGP3>5, Rotors>15	0.55
Pentadecanoic acid,14-methyl-, methyl ester	Yes; 1 violation: MLOGP>4.15	Yes	No; 1 violation: Rotors>10	Yes	No; 1 violation: XLOGP3>5	0.55
9-Octadecenoic acid (Z)-, methyl ester	Yes; 1 violation: MLOGP>4.15	No; 1 violation: WLOGP>5.6	No; 1 violation: Rotors>10	No; 1 violation: WLOGP>5.88	No; 2 violations: XLOGP3>5, Rotors>15	0.55
2-Methoxy-4-vinylphenol	Yes; 0 violation	Yes; 1 violation: MW<160	Yes	Yes	Yes; 1 violation: MW<200	0.55

In case of medicinal chemistry friendliness prediction (Table 9), the PAINS obtained 0 violation for all phytochemicals. The Brenk structural alert as 0 violation for Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, Pentadecanoic acid,14-methyl-, methyl ester and 2-Methoxy-4-vinylphenol while 1 violation for 4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester, Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester, Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester, 17-Octadecynoic acid, Phthalic acid, butyl tetradecyl ester, 9-Octadecenoic acid (Z)-, methyl ester and 2 violation for 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one. The synthetic accessibility score showed in a following manner as Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester (3.91), Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester (3.75), Phthalic acid, butyl tetradecyl ester (3.65), 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (3.59), 17-Octadecynoic acid (3.35), 9-Octadecenoic acid (Z)-, methyl ester (3.16), Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester (2.91), 4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester (2.88) and 2-Methoxy-4-vinylphenol (1.45).

Table 9: Medicinal chemistry properties of the Phytochemicals of Avicennia marina leaves

SI. No.	Small Molecule	Pains	Brenk	Leadlikeness	Synthetic accessibility
1	4-Hydroxy-4-methylhex-5-enoic acid, Tert.-butyl ester	0 alert	1 alert: isolated_alkene	No; 1 violation: MW<250	2.88
2	Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester	0 alert	0 alert	No; 1 violation: MW<250	2.91
3	Benzoic acid, 2,4-bis(trimethylsiloxy)-, Trimethylsilyl ester	0 alert	1 alert: heavy_metal	No; 2 violations: MW>350, XLOGP3>3.5	3.91
4	3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one	0 alert	2 alerts: isolated_alkene, Michael_acceptor_1	No; 2 violations: MW>250, XLOGP3>3.5	3.59
5	Acetic acid, (1,2,3,4,5,6,7,8-octahydro-3,8,8-trimeThylnaphth-2-yl)methyl ester	0 alert	1 alert: isolated_alkene	No; 1 violation: XLOGP3>3.5	3.75
6	17-Octadecynoic acid	0 alert	1 alert: triple_bond	No; 2 violations: Rotors>7, XLOGP3>3.5	3.35
7	Phthalic acid, butyl tetradecyl ester	0 alert	1 alert: more_than_2_esters	No; 3 violations: MW>350, Rotors>7, XLOGP3>3.5	3.65
8	Pentadecanoic acid,14-methyl-, methyl ester	0 alert	0 alert	No; 2 violations: Rotors>7, XLOGP3>3.5	2.53
9	9-Octadecenoic acid (Z)-, methyl ester	0 alert	1 alert: isolated_alkene	No; 2 violations: Rotors>7, XLOGP3>3.5	3.16
10	2-Methoxy-4-vinylphenol	0 alert	0 alert	No; 1 violation: MW<250	1.45

CONCLUSION:

Avicennia marina leaves are richer in phytoconstituents which can be used for medicinal purposes as an alternative natural drug with minimal adverse side effects. Further isolation and testing of phytoconstituents will bring promising results in the discovery and development of drugs especially antiviral and antibiotics.

CONFLICT OF INTEREST:

The authors have no conflicts of interest regarding this investigation.

ACKNOWLEDGEMENT:

The authors express sincere gratitude towards Management, Principal, Anekant Education Society’s Tuljaram Chaturchand College Baramati. Head, and P.G. Coordinator Department of Chemistry and ARC T.C. College for facility and financial support. The authors are also grateful to coordinator, CFC for HPLC and FTIR analysis.

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Received on 14.06.2022 Modified on 29.06.2022

Res. J. Pharmacognosy and Phytochem. 2022; 14(4):231-239.

DOI: 10.52711/0975-4385.2022.00041